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

C18H30N2 — CID 106901965

IUPACN-butyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)butan-1-amine
SMILESCCCCN(CCCC)CC1CNc2ccccc2C1
InChIInChI=1S/C18H30N2/c1-3-5-11-20(12-6-4-2)15-16-13-17-9-7-8-10-18(17)19-14-16/h7-10,16,19H,3-6,11-15H2,1-2H3
InChIKeyIALONMRDTTXKLT-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.17
Rot. Bonds8

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

N-butyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)butan-1-amine (PubChem CID 106901965) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-butyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)butan-1-amine.

Molecular Properties

Compound NameN-butyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)butan-1-amine
PubChem CID106901965
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-butyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)butan-1-amine
SMILESCCCCN(CCCC)CC1CNc2ccccc2C1
InChIInChI=1S/C18H30N2/c1-3-5-11-20(12-6-4-2)15-16-13-17-9-7-8-10-18(17)19-14-16/h7-10,16,19H,3-6,11-15H2,1-2H3
InChIKeyIALONMRDTTXKLT-UHFFFAOYSA-N
XLogP4.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-butyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)butan-1-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-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)pentan-1-amine
CID 106902089
N,N-dimethyl-N'-(2-methylpropyl)-N'-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)ethane-1,2-diamine
CID 106902107
N-methyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)propan-2-amine
CID 106901949
3,3,3-trifluoro-N-methyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)propan-1-amine
CID 106902239
N-(cyclopropylmethyl)-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)prop-2-yn-1-amine
CID 106902297
N,2-dimethyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)butan-1-amine
CID 106901978
N-methyl-2-pyrrolidin-1-yl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)ethanamine
CID 106902191
N-methyl-N-[(2-methylphenyl)methyl]-1-(1,2,3,4-tetrahydroquinolin-3-yl)methanamine
CID 106902024
N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)heptan-2-amine
CID 106902070
3-(3-methoxypropyl)-1,2,3,4-tetrahydroquinoline
CID 76504253
3-(4-methylpentyl)-1,2,3,4-tetrahydroquinoline
CID 106781112
N-ethyl-3-fluoro-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)aniline
CID 106902120

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)butan-1-amine?
The IUPAC name of N-butyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)butan-1-amine (CID 106901965) is N-butyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)butan-1-amine.
What is the SMILES notation for N-butyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)butan-1-amine?
The canonical SMILES for N-butyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)butan-1-amine is CCCCN(CCCC)CC1CNc2ccccc2C1.
What is the InChIKey of N-butyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)butan-1-amine?
The InChIKey is IALONMRDTTXKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-3-5-11-20(12-6-4-2)15-16-13-17-9-7-8-10-18(17)19-14-16/h7-10,16,19H,3-6,11-15H2,1-2H3.
What are the key properties of N-butyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)butan-1-amine?
N-butyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)butan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)butan-1-amine is sourced from PubChem (CID 106901965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).