N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)heptan-2-amine

C17H28N2 — CID 106902070

IUPACN-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)heptan-2-amine
SMILESCCCCCC(C)NCC1CNc2ccccc2C1
InChIInChI=1S/C17H28N2/c1-3-4-5-8-14(2)18-12-15-11-16-9-6-7-10-17(16)19-13-15/h6-7,9-10,14-15,18-19H,3-5,8,11-13H2,1-2H3
InChIKeyHQAYXEUXGZPBTP-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.83
Rot. Bonds7

About N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)heptan-2-amine

N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)heptan-2-amine (PubChem CID 106902070) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)heptan-2-amine.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)heptan-2-amine
PubChem CID106902070
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)heptan-2-amine
SMILESCCCCCC(C)NCC1CNc2ccccc2C1
InChIInChI=1S/C17H28N2/c1-3-4-5-8-14(2)18-12-15-11-16-9-6-7-10-17(16)19-13-15/h6-7,9-10,14-15,18-19H,3-5,8,11-13H2,1-2H3
InChIKeyHQAYXEUXGZPBTP-UHFFFAOYSA-N
XLogP3.83
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)heptan-2-amine 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-(2,3-dihydro-1H-indol-3-ylmethyl)heptan-2-amine
CID 80566537
1-(furan-2-yl)-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)propan-2-amine
CID 106902071
3-(4-methylpentyl)-1,2,3,4-tetrahydroquinoline
CID 106781112
N-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)pentan-1-amine
CID 106902089
2,3-dimethyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)butan-1-amine
CID 106902230
N-butyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)butan-1-amine
CID 106901965
octan-2-yl 1,2,3,4-tetrahydroquinoline-3-carboxylate
CID 106902768
N-methyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)propan-2-amine
CID 106901949
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)hexan-2-amine
CID 54895979
N,2-dimethyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)butan-1-amine
CID 106901978
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)hexan-2-amine
CID 79223008
3-(3-methoxypropyl)-1,2,3,4-tetrahydroquinoline
CID 76504253

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)heptan-2-amine?
The IUPAC name of N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)heptan-2-amine (CID 106902070) is N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)heptan-2-amine.
What is the SMILES notation for N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)heptan-2-amine?
The canonical SMILES for N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)heptan-2-amine is CCCCCC(C)NCC1CNc2ccccc2C1.
What is the InChIKey of N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)heptan-2-amine?
The InChIKey is HQAYXEUXGZPBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-3-4-5-8-14(2)18-12-15-11-16-9-6-7-10-17(16)19-13-15/h6-7,9-10,14-15,18-19H,3-5,8,11-13H2,1-2H3.
What are the key properties of N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)heptan-2-amine?
N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)heptan-2-amine has a molecular weight of 260.43 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)heptan-2-amine is sourced from PubChem (CID 106902070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).