16-N'-cyclodecyl-5-N',5-N',6-N,6-N,16-N',17-N-hexa(cyclononyl)-17-N-cyclooctylspiro[tricyclo[10.8.0.02,10]icosane-11,10'-tricyclo[9.7.0.02,9]octadecane]-5',6,16',17-tetramine

C109H196N4 — CID 134369076

IUPAC16-N'-cyclodecyl-5-N',5-N',6-N,6-N,16-N',17-N-hexa(cyclononyl)-17-N-cyclooctylspiro[tricyclo[10.8.0.02,10]icosane-11,10'-tricyclo[9.7.0.02,9]octadecane]-5',6,16',17-tetramine
SMILESC1CCCCC(N(C2CCCCCCCC2)C2CCCCC3C(CC2)C2CCC(N(C4CCCCCCCC4)C4CCCCCCCC4)CCCC2C32C3CCCCC(N(C4CCCCCCCC4)C4CCCCCCC4)CCCC3C3CCCC(N(C4CCCCCCCC4)C4CCCCCCCC4)CCCC32)CCCC1
InChIInChI=1S/C109H196N4/c1-2-17-33-65-93(66-34-18-3-1)112(94-67-41-25-10-11-26-42-68-94)99-74-50-52-82-106-103(87-85-99)104-88-86-100(113(95-69-43-27-12-13-28-44-70-95)96-71-45-29-14-15-30-46-72-96)78-56-84-108(104)109(106)105-81-51-49-73-97(110(90-63-47-31-16-32-48-64-90)89-57-35-19-4-5-20-36-58-89)75-53-79-101(105)102-80-54-76-98(77-55-83-107(102)109)111(91-59-37-21-6-7-22-38-60-91)92-61-39-23-8-9-24-40-62-92/h89-108H,1-88H2
InChIKeyHIVPNTAPTYSCKD-UHFFFAOYSA-N
MW1562.80 g/mol
LogP33.05
Rot. Bonds12

About 16-N'-cyclodecyl-5-N',5-N',6-N,6-N,16-N',17-N-hexa(cyclononyl)-17-N-cyclooctylspiro[tricyclo[10.8.0.02,10]icosane-11,10'-tricyclo[9.7.0.02,9]octadecane]-5',6,16',17-tetramine

16-N'-cyclodecyl-5-N',5-N',6-N,6-N,16-N',17-N-hexa(cyclononyl)-17-N-cyclooctylspiro[tricyclo[10.8.0.02,10]icosane-11,10'-tricyclo[9.7.0.02,9]octadecane]-5',6,16',17-tetramine (PubChem CID 134369076) has the molecular formula C109H196N4 and a molecular weight of 1562.80 g/mol. Its IUPAC name is 16-N'-cyclodecyl-5-N',5-N',6-N,6-N,16-N',17-N-hexa(cyclononyl)-17-N-cyclooctylspiro[tricyclo[10.8.0.02,10]icosane-11,10'-tricyclo[9.7.0.02,9]octadecane]-5',6,16',17-tetramine.

Molecular Properties

Compound Name16-N'-cyclodecyl-5-N',5-N',6-N,6-N,16-N',17-N-hexa(cyclononyl)-17-N-cyclooctylspiro[tricyclo[10.8.0.02,10]icosane-11,10'-tricyclo[9.7.0.02,9]octadecane]-5',6,16',17-tetramine
PubChem CID134369076
Molecular FormulaC109H196N4
Molecular Weight1562.80 g/mol
Exact Mass1561.55
IUPAC Name16-N'-cyclodecyl-5-N',5-N',6-N,6-N,16-N',17-N-hexa(cyclononyl)-17-N-cyclooctylspiro[tricyclo[10.8.0.02,10]icosane-11,10'-tricyclo[9.7.0.02,9]octadecane]-5',6,16',17-tetramine
SMILESC1CCCCC(N(C2CCCCCCCC2)C2CCCCC3C(CC2)C2CCC(N(C4CCCCCCCC4)C4CCCCCCCC4)CCCC2C32C3CCCCC(N(C4CCCCCCCC4)C4CCCCCCC4)CCCC3C3CCCC(N(C4CCCCCCCC4)C4CCCCCCCC4)CCCC32)CCCC1
InChIInChI=1S/C109H196N4/c1-2-17-33-65-93(66-34-18-3-1)112(94-67-41-25-10-11-26-42-68-94)99-74-50-52-82-106-103(87-85-99)104-88-86-100(113(95-69-43-27-12-13-28-44-70-95)96-71-45-29-14-15-30-46-72-96)78-56-84-108(104)109(106)105-81-51-49-73-97(110(90-63-47-31-16-32-48-64-90)89-57-35-19-4-5-20-36-58-89)75-53-79-101(105)102-80-54-76-98(77-55-83-107(102)109)111(91-59-37-21-6-7-22-38-60-91)92-61-39-23-8-9-24-40-62-92/h89-108H,1-88H2
InChIKeyHIVPNTAPTYSCKD-UHFFFAOYSA-N
XLogP33.05
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms113
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001562.80
LogP ≤ 533.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 16-N'-cyclodecyl-5-N',5-N',6-N,6-N,16-N',17-N-hexa(cyclononyl)-17-N-cyclooctylspiro[tricyclo[10.8.0.02,10]icosane-11,10'-tricyclo[9.7.0.02,9]octadecane]-5',6,16',17-tetramine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclohexyl-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]-9,9'-spirobi[1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene]-2'-amine
CID 165000916
N,N-dicyclohexylcyclohexanamine
CID 175770337
N-cyclohexyl-N-(9,9'-spirobi[1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene]-4'-yl)-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine
CID 165073557
N-[4-[4-[[4-[4-[[4-[4-[1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl(cyclohexyl)amino]cyclohexyl]cyclohexyl]-cyclohexylamino]cyclohexyl]cyclohexyl]-cyclohexylamino]cyclohexyl]cyclohexyl]-N-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine
CID 170101439
N,9,9-tricyclohexyl-N-[3-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-2-amine
CID 165050218
N,1-dicyclohexyl-N-(1-cyclohexyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-amine
CID 58897797
9,9-bis(2-methoxycyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene
CID 140500151
N-(9,9-dicyclohexyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-2-yl)-N-[4-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-amine
CID 164984190
N,N-dicyclohexyl-4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexan-1-amine
CID 165030100
N-cyclohexyl-N-(9,9-dicyclohexyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-4-yl)-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-amine
CID 165010045
tricyclo[5.4.0.08,11]undecane
CID 176586412
tricyclo[5.5.0.02,6]dodecane
CID 578151

Frequently Asked Questions

What is the IUPAC name of 16-N'-cyclodecyl-5-N',5-N',6-N,6-N,16-N',17-N-hexa(cyclononyl)-17-N-cyclooctylspiro[tricyclo[10.8.0.02,10]icosane-11,10'-tricyclo[9.7.0.02,9]octadecane]-5',6,16',17-tetramine?
The IUPAC name of 16-N'-cyclodecyl-5-N',5-N',6-N,6-N,16-N',17-N-hexa(cyclononyl)-17-N-cyclooctylspiro[tricyclo[10.8.0.02,10]icosane-11,10'-tricyclo[9.7.0.02,9]octadecane]-5',6,16',17-tetramine (CID 134369076) is 16-N'-cyclodecyl-5-N',5-N',6-N,6-N,16-N',17-N-hexa(cyclononyl)-17-N-cyclooctylspiro[tricyclo[10.8.0.02,10]icosane-11,10'-tricyclo[9.7.0.02,9]octadecane]-5',6,16',17-tetramine.
What is the SMILES notation for 16-N'-cyclodecyl-5-N',5-N',6-N,6-N,16-N',17-N-hexa(cyclononyl)-17-N-cyclooctylspiro[tricyclo[10.8.0.02,10]icosane-11,10'-tricyclo[9.7.0.02,9]octadecane]-5',6,16',17-tetramine?
The canonical SMILES for 16-N'-cyclodecyl-5-N',5-N',6-N,6-N,16-N',17-N-hexa(cyclononyl)-17-N-cyclooctylspiro[tricyclo[10.8.0.02,10]icosane-11,10'-tricyclo[9.7.0.02,9]octadecane]-5',6,16',17-tetramine is C1CCCCC(N(C2CCCCCCCC2)C2CCCCC3C(CC2)C2CCC(N(C4CCCCCCCC4)C4CCCCCCCC4)CCCC2C32C3CCCCC(N(C4CCCCCCCC4)C4CCCCCCC4)CCCC3C3CCCC(N(C4CCCCCCCC4)C4CCCCCCCC4)CCCC32)CCCC1.
What is the InChIKey of 16-N'-cyclodecyl-5-N',5-N',6-N,6-N,16-N',17-N-hexa(cyclononyl)-17-N-cyclooctylspiro[tricyclo[10.8.0.02,10]icosane-11,10'-tricyclo[9.7.0.02,9]octadecane]-5',6,16',17-tetramine?
The InChIKey is HIVPNTAPTYSCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C109H196N4/c1-2-17-33-65-93(66-34-18-3-1)112(94-67-41-25-10-11-26-42-68-94)99-74-50-52-82-106-103(87-85-99)104-88-86-100(113(95-69-43-27-12-13-28-44-70-95)96-71-45-29-14-15-30-46-72-96)78-56-84-108(104)109(106)105-81-51-49-73-97(110(90-63-47-31-16-32-48-64-90)89-57-35-19-4-5-20-36-58-89)75-53-79-101(105)102-80-54-76-98(77-55-83-107(102)109)111(91-59-37-21-6-7-22-38-60-91)92-61-39-23-8-9-24-40-62-92/h89-108H,1-88H2.
What are the key properties of 16-N'-cyclodecyl-5-N',5-N',6-N,6-N,16-N',17-N-hexa(cyclononyl)-17-N-cyclooctylspiro[tricyclo[10.8.0.02,10]icosane-11,10'-tricyclo[9.7.0.02,9]octadecane]-5',6,16',17-tetramine?
16-N'-cyclodecyl-5-N',5-N',6-N,6-N,16-N',17-N-hexa(cyclononyl)-17-N-cyclooctylspiro[tricyclo[10.8.0.02,10]icosane-11,10'-tricyclo[9.7.0.02,9]octadecane]-5',6,16',17-tetramine has a molecular weight of 1562.80 g/mol, XLogP of 33.05, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 16-N'-cyclodecyl-5-N',5-N',6-N,6-N,16-N',17-N-hexa(cyclononyl)-17-N-cyclooctylspiro[tricyclo[10.8.0.02,10]icosane-11,10'-tricyclo[9.7.0.02,9]octadecane]-5',6,16',17-tetramine is sourced from PubChem (CID 134369076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).