N-(3-methylphenyl)-12-azatricyclo[9.8.0.013,18]nonadeca-1(19),11,13,15,17-pentaen-19-amine

C25H30N2 — CID 134912890

IUPACN-(3-methylphenyl)-12-azatricyclo[9.8.0.013,18]nonadeca-1(19),11,13,15,17-pentaen-19-amine
SMILESCc1cccc(Nc2c3c(nc4ccccc24)CCCCCCCCC3)c1
InChIInChI=1S/C25H30N2/c1-19-12-11-13-20(18-19)26-25-21-14-7-5-3-2-4-6-8-16-23(21)27-24-17-10-9-15-22(24)25/h9-13,15,17-18H,2-8,14,16H2,1H3,(H,26,27)
InChIKeyHBIRKKHEKUZZCL-UHFFFAOYSA-N
MW358.53 g/mol
LogP7.12
Rot. Bonds2

About N-(3-methylphenyl)-12-azatricyclo[9.8.0.013,18]nonadeca-1(19),11,13,15,17-pentaen-19-amine

N-(3-methylphenyl)-12-azatricyclo[9.8.0.013,18]nonadeca-1(19),11,13,15,17-pentaen-19-amine (PubChem CID 134912890) has the molecular formula C25H30N2 and a molecular weight of 358.53 g/mol. Its IUPAC name is N-(3-methylphenyl)-12-azatricyclo[9.8.0.013,18]nonadeca-1(19),11,13,15,17-pentaen-19-amine.

Molecular Properties

Compound NameN-(3-methylphenyl)-12-azatricyclo[9.8.0.013,18]nonadeca-1(19),11,13,15,17-pentaen-19-amine
PubChem CID134912890
Molecular FormulaC25H30N2
Molecular Weight358.53 g/mol
Exact Mass358.24
IUPAC NameN-(3-methylphenyl)-12-azatricyclo[9.8.0.013,18]nonadeca-1(19),11,13,15,17-pentaen-19-amine
SMILESCc1cccc(Nc2c3c(nc4ccccc24)CCCCCCCCC3)c1
InChIInChI=1S/C25H30N2/c1-19-12-11-13-20(18-19)26-25-21-14-7-5-3-2-4-6-8-16-23(21)27-24-17-10-9-15-22(24)25/h9-13,15,17-18H,2-8,14,16H2,1H3,(H,26,27)
InChIKeyHBIRKKHEKUZZCL-UHFFFAOYSA-N
XLogP7.12
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.53
LogP ≤ 57.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methylphenyl)-1,3-dihydrothieno[3,4-b]quinolin-9-amine
CID 110435258
N-[4-[[4-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-ylamino)phenyl]methyl]phenyl]-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
CID 72735103
N-(3-chloro-4-fluorophenyl)-1,2,3,4-tetrahydroacridin-9-amine
CID 3658778
N-(4-chlorophenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;hydrochloride
CID 2790059
(3-methylphenyl)-(1,2,3,4-tetrahydroacridin-9-yl)methanone
CID 21239885
7-chloro-N-(3-ethylphenyl)-1,2,3,4-tetrahydroacridin-9-amine
CID 20858368
N-phenyl-N'-(1,2,3,4-tetrahydroacridin-9-yl)dodecane-1,12-diamine
CID 46889316
N-(2-methoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 720949
N-butyl-6,7,8,9,10,11-hexahydrocycloocta[b]quinolin-12-amine;hydrochloride
CID 24837218
N-(4-morpholin-4-ylphenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 110435252
N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)decane-1,10-diamine;dihydrochloride
CID 23644646
2-methyl-11-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
CID 122224204

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-12-azatricyclo[9.8.0.013,18]nonadeca-1(19),11,13,15,17-pentaen-19-amine?
The IUPAC name of N-(3-methylphenyl)-12-azatricyclo[9.8.0.013,18]nonadeca-1(19),11,13,15,17-pentaen-19-amine (CID 134912890) is N-(3-methylphenyl)-12-azatricyclo[9.8.0.013,18]nonadeca-1(19),11,13,15,17-pentaen-19-amine.
What is the SMILES notation for N-(3-methylphenyl)-12-azatricyclo[9.8.0.013,18]nonadeca-1(19),11,13,15,17-pentaen-19-amine?
The canonical SMILES for N-(3-methylphenyl)-12-azatricyclo[9.8.0.013,18]nonadeca-1(19),11,13,15,17-pentaen-19-amine is Cc1cccc(Nc2c3c(nc4ccccc24)CCCCCCCCC3)c1.
What is the InChIKey of N-(3-methylphenyl)-12-azatricyclo[9.8.0.013,18]nonadeca-1(19),11,13,15,17-pentaen-19-amine?
The InChIKey is HBIRKKHEKUZZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2/c1-19-12-11-13-20(18-19)26-25-21-14-7-5-3-2-4-6-8-16-23(21)27-24-17-10-9-15-22(24)25/h9-13,15,17-18H,2-8,14,16H2,1H3,(H,26,27).
What are the key properties of N-(3-methylphenyl)-12-azatricyclo[9.8.0.013,18]nonadeca-1(19),11,13,15,17-pentaen-19-amine?
N-(3-methylphenyl)-12-azatricyclo[9.8.0.013,18]nonadeca-1(19),11,13,15,17-pentaen-19-amine has a molecular weight of 358.53 g/mol, XLogP of 7.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-12-azatricyclo[9.8.0.013,18]nonadeca-1(19),11,13,15,17-pentaen-19-amine is sourced from PubChem (CID 134912890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).