3-(aminomethyl)-N,N-dibutylquinolin-2-amine

C18H27N3 — CID 28983445

IUPAC3-(aminomethyl)-N,N-dibutylquinolin-2-amine
SMILESCCCCN(CCCC)c1nc2ccccc2cc1CN
InChIInChI=1S/C18H27N3/c1-3-5-11-21(12-6-4-2)18-16(14-19)13-15-9-7-8-10-17(15)20-18/h7-10,13H,3-6,11-12,14,19H2,1-2H3
InChIKeyIOEUAVMTCKGKNQ-UHFFFAOYSA-N
MW285.43 g/mol
LogP4.10
Rot. Bonds8

About 3-(aminomethyl)-N,N-dibutylquinolin-2-amine

3-(aminomethyl)-N,N-dibutylquinolin-2-amine (PubChem CID 28983445) has the molecular formula C18H27N3 and a molecular weight of 285.43 g/mol. Its IUPAC name is 3-(aminomethyl)-N,N-dibutylquinolin-2-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N,N-dibutylquinolin-2-amine
PubChem CID28983445
Molecular FormulaC18H27N3
Molecular Weight285.43 g/mol
Exact Mass285.22
IUPAC Name3-(aminomethyl)-N,N-dibutylquinolin-2-amine
SMILESCCCCN(CCCC)c1nc2ccccc2cc1CN
InChIInChI=1S/C18H27N3/c1-3-5-11-21(12-6-4-2)18-16(14-19)13-15-9-7-8-10-17(15)20-18/h7-10,13H,3-6,11-12,14,19H2,1-2H3
InChIKeyIOEUAVMTCKGKNQ-UHFFFAOYSA-N
XLogP4.10
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(bromomethyl)-N,N-dibutylquinolin-2-amine
CID 107079757
3-(aminomethyl)-N-butyl-N-cyclopropylquinolin-2-amine
CID 61445208
3-(aminomethyl)-N-propan-2-yl-N-propylquinolin-2-amine
CID 43269833
2-[[3-(aminomethyl)quinolin-2-yl]-ethylamino]-N,N-dimethylacetamide
CID 61448987
2-[[3-(aminomethyl)quinolin-2-yl]-methylamino]propan-1-ol
CID 113425934
2-[butyl(ethyl)amino]quinoline-3-carboxylic acid
CID 28952092
3-(aminomethyl)-N-cycloheptyl-N-methylquinolin-2-amine
CID 43614276
2-(aminomethyl)-N,N-dibutylquinolin-4-amine
CID 63374040
3-(aminomethyl)-N,N-dibutyl-6-(trifluoromethyl)pyridin-2-amine
CID 71503747
N'-[3-(bromomethyl)quinolin-2-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 107085501
N'-(2-aminoethyl)-N'-(3-methylquinolin-2-yl)ethane-1,2-diamine
CID 63229201
3-(aminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)quinolin-2-amine
CID 43527791

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N,N-dibutylquinolin-2-amine?
The IUPAC name of 3-(aminomethyl)-N,N-dibutylquinolin-2-amine (CID 28983445) is 3-(aminomethyl)-N,N-dibutylquinolin-2-amine.
What is the SMILES notation for 3-(aminomethyl)-N,N-dibutylquinolin-2-amine?
The canonical SMILES for 3-(aminomethyl)-N,N-dibutylquinolin-2-amine is CCCCN(CCCC)c1nc2ccccc2cc1CN.
What is the InChIKey of 3-(aminomethyl)-N,N-dibutylquinolin-2-amine?
The InChIKey is IOEUAVMTCKGKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-3-5-11-21(12-6-4-2)18-16(14-19)13-15-9-7-8-10-17(15)20-18/h7-10,13H,3-6,11-12,14,19H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N,N-dibutylquinolin-2-amine?
3-(aminomethyl)-N,N-dibutylquinolin-2-amine has a molecular weight of 285.43 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N,N-dibutylquinolin-2-amine is sourced from PubChem (CID 28983445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).