N-[3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propyl]cyclohexanamine

C19H30N2 — CID 63502793

IUPACN-[3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propyl]cyclohexanamine
SMILESCC1Cc2ccccc2N(CCCNC2CCCCC2)C1
InChIInChI=1S/C19H30N2/c1-16-14-17-8-5-6-11-19(17)21(15-16)13-7-12-20-18-9-3-2-4-10-18/h5-6,8,11,16,18,20H,2-4,7,9-10,12-15H2,1H3
InChIKeyWFXJJSHRSBAHHH-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.00
Rot. Bonds5

About N-[3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propyl]cyclohexanamine

N-[3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propyl]cyclohexanamine (PubChem CID 63502793) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is N-[3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propyl]cyclohexanamine.

Molecular Properties

Compound NameN-[3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propyl]cyclohexanamine
PubChem CID63502793
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC NameN-[3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propyl]cyclohexanamine
SMILESCC1Cc2ccccc2N(CCCNC2CCCCC2)C1
InChIInChI=1S/C19H30N2/c1-16-14-17-8-5-6-11-19(17)21(15-16)13-7-12-20-18-9-3-2-4-10-18/h5-6,8,11,16,18,20H,2-4,7,9-10,12-15H2,1H3
InChIKeyWFXJJSHRSBAHHH-UHFFFAOYSA-N
XLogP4.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propyl]cyclohexanamine with MolForge

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Related Compounds

N-tert-butyl-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-amine
CID 63492799
1-(4-bromobutyl)-3-methyl-3,4-dihydro-2H-quinoline
CID 63447089
5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-amine
CID 63404154
4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 63491756
N-[3-(2,3-dihydroindol-1-yl)propyl]cyclopropanamine
CID 60867490
1-cyclopropyl-N-[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]ethanamine
CID 63503815
N',N'-dimethyl-N-[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]propane-1,3-diamine
CID 63503822
4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-amine
CID 63468992
2-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclohexan-1-amine
CID 63494357
4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-propylcyclohexan-1-amine
CID 114763316
2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(oxolan-2-ylmethyl)ethanamine
CID 63503992
N-[2-(2,3-dihydroindol-1-yl)ethyl]cyclopentanamine
CID 55024431

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propyl]cyclohexanamine?
The IUPAC name of N-[3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propyl]cyclohexanamine (CID 63502793) is N-[3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propyl]cyclohexanamine.
What is the SMILES notation for N-[3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propyl]cyclohexanamine?
The canonical SMILES for N-[3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propyl]cyclohexanamine is CC1Cc2ccccc2N(CCCNC2CCCCC2)C1.
What is the InChIKey of N-[3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propyl]cyclohexanamine?
The InChIKey is WFXJJSHRSBAHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-16-14-17-8-5-6-11-19(17)21(15-16)13-7-12-20-18-9-3-2-4-10-18/h5-6,8,11,16,18,20H,2-4,7,9-10,12-15H2,1H3.
What are the key properties of N-[3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propyl]cyclohexanamine?
N-[3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propyl]cyclohexanamine has a molecular weight of 286.46 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propyl]cyclohexanamine is sourced from PubChem (CID 63502793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).