N,N-dicyclohexyl-5-[4-[6-[4-[8-(dicyclohexylamino)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-5-yl]cyclohexyl]piperidin-2-yl]cyclohexyl]-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-8-amine

C63H109N7 — CID 140888511

IUPACN,N-dicyclohexyl-5-[4-[6-[4-[8-(dicyclohexylamino)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-5-yl]cyclohexyl]piperidin-2-yl]cyclohexyl]-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-8-amine
SMILESC1CCC(N(C2CCCCC2)C2CCC3C(C2)C2CNCCC2N3C2CCC(C3CCCC(C4CCC(N5C6CCNCC6C6CC(N(C7CCCCC7)C7CCCCC7)CCC65)CC4)N3)CC2)CC1
InChIInChI=1S/C63H109N7/c1-5-14-46(15-6-1)67(47-16-7-2-8-17-47)52-32-34-60-54(40-52)56-42-64-38-36-62(56)69(60)50-28-24-44(25-29-50)58-22-13-23-59(66-58)45-26-30-51(31-27-45)70-61-35-33-53(41-55(61)57-43-65-39-37-63(57)70)68(48-18-9-3-10-19-48)49-20-11-4-12-21-49/h44-66H,1-43H2
InChIKeyZCCOYSGIJFRTPS-UHFFFAOYSA-N
MW964.61 g/mol
LogP12.21
Rot. Bonds10

About N,N-dicyclohexyl-5-[4-[6-[4-[8-(dicyclohexylamino)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-5-yl]cyclohexyl]piperidin-2-yl]cyclohexyl]-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-8-amine

N,N-dicyclohexyl-5-[4-[6-[4-[8-(dicyclohexylamino)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-5-yl]cyclohexyl]piperidin-2-yl]cyclohexyl]-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-8-amine (PubChem CID 140888511) has the molecular formula C63H109N7 and a molecular weight of 964.61 g/mol. Its IUPAC name is N,N-dicyclohexyl-5-[4-[6-[4-[8-(dicyclohexylamino)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-5-yl]cyclohexyl]piperidin-2-yl]cyclohexyl]-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-8-amine.

Molecular Properties

Compound NameN,N-dicyclohexyl-5-[4-[6-[4-[8-(dicyclohexylamino)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-5-yl]cyclohexyl]piperidin-2-yl]cyclohexyl]-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-8-amine
PubChem CID140888511
Molecular FormulaC63H109N7
Molecular Weight964.61 g/mol
Exact Mass963.87
IUPAC NameN,N-dicyclohexyl-5-[4-[6-[4-[8-(dicyclohexylamino)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-5-yl]cyclohexyl]piperidin-2-yl]cyclohexyl]-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-8-amine
SMILESC1CCC(N(C2CCCCC2)C2CCC3C(C2)C2CNCCC2N3C2CCC(C3CCCC(C4CCC(N5C6CCNCC6C6CC(N(C7CCCCC7)C7CCCCC7)CCC65)CC4)N3)CC2)CC1
InChIInChI=1S/C63H109N7/c1-5-14-46(15-6-1)67(47-16-7-2-8-17-47)52-32-34-60-54(40-52)56-42-64-38-36-62(56)69(60)50-28-24-44(25-29-50)58-22-13-23-59(66-58)45-26-30-51(31-27-45)70-61-35-33-53(41-55(61)57-43-65-39-37-63(57)70)68(48-18-9-3-10-19-48)49-20-11-4-12-21-49/h44-66H,1-43H2
InChIKeyZCCOYSGIJFRTPS-UHFFFAOYSA-N
XLogP12.21
TPSA49.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500964.61
LogP ≤ 512.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N,N-dicyclohexyl-5-[4-[6-[4-[8-(dicyclohexylamino)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-5-yl]cyclohexyl]piperidin-2-yl]cyclohexyl]-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-8-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-5-[4-[6-[4-[8-(dicyclohexylamino)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-5-yl]cyclohexyl]piperidin-2-yl]cyclohexyl]-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-8-amine?
The IUPAC name of N,N-dicyclohexyl-5-[4-[6-[4-[8-(dicyclohexylamino)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-5-yl]cyclohexyl]piperidin-2-yl]cyclohexyl]-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-8-amine (CID 140888511) is N,N-dicyclohexyl-5-[4-[6-[4-[8-(dicyclohexylamino)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-5-yl]cyclohexyl]piperidin-2-yl]cyclohexyl]-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-8-amine.
What is the SMILES notation for N,N-dicyclohexyl-5-[4-[6-[4-[8-(dicyclohexylamino)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-5-yl]cyclohexyl]piperidin-2-yl]cyclohexyl]-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-8-amine?
The canonical SMILES for N,N-dicyclohexyl-5-[4-[6-[4-[8-(dicyclohexylamino)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-5-yl]cyclohexyl]piperidin-2-yl]cyclohexyl]-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-8-amine is C1CCC(N(C2CCCCC2)C2CCC3C(C2)C2CNCCC2N3C2CCC(C3CCCC(C4CCC(N5C6CCNCC6C6CC(N(C7CCCCC7)C7CCCCC7)CCC65)CC4)N3)CC2)CC1.
What is the InChIKey of N,N-dicyclohexyl-5-[4-[6-[4-[8-(dicyclohexylamino)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-5-yl]cyclohexyl]piperidin-2-yl]cyclohexyl]-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-8-amine?
The InChIKey is ZCCOYSGIJFRTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H109N7/c1-5-14-46(15-6-1)67(47-16-7-2-8-17-47)52-32-34-60-54(40-52)56-42-64-38-36-62(56)69(60)50-28-24-44(25-29-50)58-22-13-23-59(66-58)45-26-30-51(31-27-45)70-61-35-33-53(41-55(61)57-43-65-39-37-63(57)70)68(48-18-9-3-10-19-48)49-20-11-4-12-21-49/h44-66H,1-43H2.
What are the key properties of N,N-dicyclohexyl-5-[4-[6-[4-[8-(dicyclohexylamino)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-5-yl]cyclohexyl]piperidin-2-yl]cyclohexyl]-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-8-amine?
N,N-dicyclohexyl-5-[4-[6-[4-[8-(dicyclohexylamino)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-5-yl]cyclohexyl]piperidin-2-yl]cyclohexyl]-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-8-amine has a molecular weight of 964.61 g/mol, XLogP of 12.21, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-5-[4-[6-[4-[8-(dicyclohexylamino)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-5-yl]cyclohexyl]piperidin-2-yl]cyclohexyl]-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indol-8-amine is sourced from PubChem (CID 140888511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).