N-butyl-6,7,8,9,10,11-hexahydrocycloocta[b]quinolin-12-amine;hydrochloride

C19H27ClN2 — CID 24837218

IUPACN-butyl-6,7,8,9,10,11-hexahydrocycloocta[b]quinolin-12-amine;hydrochloride
SMILESCCCCNc1c2c(nc3ccccc13)CCCCCC2.Cl
InChIInChI=1S/C19H26N2.ClH/c1-2-3-14-20-19-15-10-6-4-5-7-12-17(15)21-18-13-9-8-11-16(18)19;/h8-9,11,13H,2-7,10,12,14H2,1H3,(H,20,21);1H
InChIKeyFDZAGLMHYOSROU-UHFFFAOYSA-N
MW318.89 g/mol
LogP5.53
Rot. Bonds4

About N-butyl-6,7,8,9,10,11-hexahydrocycloocta[b]quinolin-12-amine;hydrochloride

N-butyl-6,7,8,9,10,11-hexahydrocycloocta[b]quinolin-12-amine;hydrochloride (PubChem CID 24837218) has the molecular formula C19H27ClN2 and a molecular weight of 318.89 g/mol. Its IUPAC name is N-butyl-6,7,8,9,10,11-hexahydrocycloocta[b]quinolin-12-amine;hydrochloride.

Molecular Properties

Compound NameN-butyl-6,7,8,9,10,11-hexahydrocycloocta[b]quinolin-12-amine;hydrochloride
PubChem CID24837218
Molecular FormulaC19H27ClN2
Molecular Weight318.89 g/mol
Exact Mass318.19
IUPAC NameN-butyl-6,7,8,9,10,11-hexahydrocycloocta[b]quinolin-12-amine;hydrochloride
SMILESCCCCNc1c2c(nc3ccccc13)CCCCCC2.Cl
InChIInChI=1S/C19H26N2.ClH/c1-2-3-14-20-19-15-10-6-4-5-7-12-17(15)21-18-13-9-8-11-16(18)19;/h8-9,11,13H,2-7,10,12,14H2,1H3,(H,20,21);1H
InChIKeyFDZAGLMHYOSROU-UHFFFAOYSA-N
XLogP5.53
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.89
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-butyl-6,7,8,9,10,11-hexahydrocycloocta[b]quinolin-12-amine;hydrochloride 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-octyl-1,2,3,4-tetrahydroacridin-9-amine
CID 10018304
N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)decane-1,10-diamine;dihydrochloride
CID 23644646
N-propyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 62202711
N,N'-bis(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)hexane-1,6-diamine
CID 15490813
N',N'-dimethyl-N-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)propane-1,3-diamine
CID 29298
N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine;hydrochloride
CID 45265092
N-phenyl-N'-(1,2,3,4-tetrahydroacridin-9-yl)dodecane-1,12-diamine
CID 46889316
N-(3-ethoxypropyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 110432404
N-(7-phenylheptyl)-1,2,3,4-tetrahydroacridin-9-amine
CID 10761844
N'-(2-chloroethyl)-N'-ethyl-N-(1,2,3,4-tetrahydroacridin-9-yl)propane-1,3-diamine;hydrate;dihydrochloride
CID 21153756
1-N-(1,2,3,4-tetrahydroacridin-9-yl)hexane-1,2-diamine
CID 174981001
4-(1,2,3,4-tetrahydroacridin-9-ylamino)butylcarbamic acid
CID 118035689

Frequently Asked Questions

What is the IUPAC name of N-butyl-6,7,8,9,10,11-hexahydrocycloocta[b]quinolin-12-amine;hydrochloride?
The IUPAC name of N-butyl-6,7,8,9,10,11-hexahydrocycloocta[b]quinolin-12-amine;hydrochloride (CID 24837218) is N-butyl-6,7,8,9,10,11-hexahydrocycloocta[b]quinolin-12-amine;hydrochloride.
What is the SMILES notation for N-butyl-6,7,8,9,10,11-hexahydrocycloocta[b]quinolin-12-amine;hydrochloride?
The canonical SMILES for N-butyl-6,7,8,9,10,11-hexahydrocycloocta[b]quinolin-12-amine;hydrochloride is CCCCNc1c2c(nc3ccccc13)CCCCCC2.Cl.
What is the InChIKey of N-butyl-6,7,8,9,10,11-hexahydrocycloocta[b]quinolin-12-amine;hydrochloride?
The InChIKey is FDZAGLMHYOSROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2.ClH/c1-2-3-14-20-19-15-10-6-4-5-7-12-17(15)21-18-13-9-8-11-16(18)19;/h8-9,11,13H,2-7,10,12,14H2,1H3,(H,20,21);1H.
What are the key properties of N-butyl-6,7,8,9,10,11-hexahydrocycloocta[b]quinolin-12-amine;hydrochloride?
N-butyl-6,7,8,9,10,11-hexahydrocycloocta[b]quinolin-12-amine;hydrochloride has a molecular weight of 318.89 g/mol, XLogP of 5.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6,7,8,9,10,11-hexahydrocycloocta[b]quinolin-12-amine;hydrochloride is sourced from PubChem (CID 24837218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).