N-(12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-ylmethyl)-N-ethylethanamine

C25H24N2 — CID 157263178

IUPACN-(12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-ylmethyl)-N-ethylethanamine
SMILESCCN(CC)Cn1c2cc3ccccc3cc2c2c3ccccc3ccc21
InChIInChI=1S/C25H24N2/c1-3-26(4-2)17-27-23-14-13-18-9-7-8-12-21(18)25(23)22-15-19-10-5-6-11-20(19)16-24(22)27/h5-16H,3-4,17H2,1-2H3
InChIKeyLATWYDMNWQAHPK-UHFFFAOYSA-N
MW352.48 g/mol
LogP6.40
Rot. Bonds4

About N-(12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-ylmethyl)-N-ethylethanamine

N-(12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-ylmethyl)-N-ethylethanamine (PubChem CID 157263178) has the molecular formula C25H24N2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-(12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-ylmethyl)-N-ethylethanamine.

Molecular Properties

Compound NameN-(12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-ylmethyl)-N-ethylethanamine
PubChem CID157263178
Molecular FormulaC25H24N2
Molecular Weight352.48 g/mol
Exact Mass352.19
IUPAC NameN-(12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-ylmethyl)-N-ethylethanamine
SMILESCCN(CC)Cn1c2cc3ccccc3cc2c2c3ccccc3ccc21
InChIInChI=1S/C25H24N2/c1-3-26(4-2)17-27-23-14-13-18-9-7-8-12-21(18)25(23)22-15-19-10-5-6-11-20(19)16-24(22)27/h5-16H,3-4,17H2,1-2H3
InChIKeyLATWYDMNWQAHPK-UHFFFAOYSA-N
XLogP6.40
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.48
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-ylmethyl)-N-ethylethanamine with MolForge

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Related Compounds

12-benzyl-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 158312111
10,12-diethyl-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene;10,12-diethyl-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;12,14-diethyl-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 159881738
14-ethyl-14-azaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene
CID 161078028
12-benzyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;ethane
CID 161201502
22-hexyl-22-azahexacyclo[12.11.0.03,12.05,10.015,23.016,21]pentacosa-1,3,5,7,9,11,13,15(23),16,18,20,24-dodecaene
CID 135031023
12-(10-naphthalen-2-ylanthracen-9-yl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 166831992
2-N,4-N,4-N,9-tetraphenyl-2-N-(5-phenylbenzo[b]carbazol-2-yl)carbazole-2,4-diamine;2-N,4-N,4-N,9-tetraphenyl-2-N-(7-phenylbenzo[c]carbazol-10-yl)carbazole-2,4-diamine;2-N,4-N,9-triphenyl-2-N,4-N-bis(9-phenylcarbazol-2-yl)carbazole-2,4-diamine
CID 157249821
7-[[3-[N-methyl-4-[5-(4-phenylphenyl)benzo[b]carbazol-2-yl]anilino]phenyl]methyl]-N-phenyl-N-(4-phenylphenyl)benzo[c]carbazol-10-amine
CID 126651547
10-methyl-7-phenylbenzo[c]carbazole
CID 66635542
7-naphthalen-2-yl-10-(7-naphthalen-2-ylbenzo[c]carbazol-10-yl)benzo[c]carbazole
CID 118919598
ethene;12-methyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 145210762
11-phenyl-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole;5-phenyl-2-(9-phenylcarbazol-3-yl)benzo[b]carbazole;7-phenyl-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole
CID 159128944

Frequently Asked Questions

What is the IUPAC name of N-(12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-ylmethyl)-N-ethylethanamine?
The IUPAC name of N-(12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-ylmethyl)-N-ethylethanamine (CID 157263178) is N-(12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-ylmethyl)-N-ethylethanamine.
What is the SMILES notation for N-(12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-ylmethyl)-N-ethylethanamine?
The canonical SMILES for N-(12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-ylmethyl)-N-ethylethanamine is CCN(CC)Cn1c2cc3ccccc3cc2c2c3ccccc3ccc21.
What is the InChIKey of N-(12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-ylmethyl)-N-ethylethanamine?
The InChIKey is LATWYDMNWQAHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2/c1-3-26(4-2)17-27-23-14-13-18-9-7-8-12-21(18)25(23)22-15-19-10-5-6-11-20(19)16-24(22)27/h5-16H,3-4,17H2,1-2H3.
What are the key properties of N-(12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-ylmethyl)-N-ethylethanamine?
N-(12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-ylmethyl)-N-ethylethanamine has a molecular weight of 352.48 g/mol, XLogP of 6.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-ylmethyl)-N-ethylethanamine is sourced from PubChem (CID 157263178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).