2-(aminomethyl)-N,N-dibutylquinolin-4-amine

C18H27N3 — CID 63374040

IUPAC2-(aminomethyl)-N,N-dibutylquinolin-4-amine
SMILESCCCCN(CCCC)c1cc(CN)nc2ccccc12
InChIInChI=1S/C18H27N3/c1-3-5-11-21(12-6-4-2)18-13-15(14-19)20-17-10-8-7-9-16(17)18/h7-10,13H,3-6,11-12,14,19H2,1-2H3
InChIKeyVQQURKYEXTXVHQ-UHFFFAOYSA-N
MW285.44 g/mol
LogP4.10
Rot. Bonds8

About 2-(aminomethyl)-N,N-dibutylquinolin-4-amine

2-(aminomethyl)-N,N-dibutylquinolin-4-amine (PubChem CID 63374040) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 2-(aminomethyl)-N,N-dibutylquinolin-4-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N,N-dibutylquinolin-4-amine
PubChem CID63374040
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name2-(aminomethyl)-N,N-dibutylquinolin-4-amine
SMILESCCCCN(CCCC)c1cc(CN)nc2ccccc12
InChIInChI=1S/C18H27N3/c1-3-5-11-21(12-6-4-2)18-13-15(14-19)20-17-10-8-7-9-16(17)18/h7-10,13H,3-6,11-12,14,19H2,1-2H3
InChIKeyVQQURKYEXTXVHQ-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 ≤ 500285.44
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dibutyl-2-(chloromethyl)quinolin-4-amine
CID 63445296
2-(aminomethyl)-N-ethyl-N-(2-methylprop-2-enyl)quinolin-4-amine
CID 63374388
2-(aminomethyl)-N-(3-methoxypropyl)-N-methylquinolin-4-amine
CID 63377121
2-(aminomethyl)-N-methyl-N-(2-methylphenyl)quinolin-4-amine
CID 63377115
2-(chloromethyl)-N-methyl-N-pentylquinolin-4-amine
CID 63445426
(4-heptoxyquinolin-2-yl)methanamine
CID 63377719
[4-[butyl(cyclopropyl)amino]quinolin-2-yl]methanol
CID 63375838
3-(aminomethyl)-N,N-dibutylquinolin-2-amine
CID 28983445
[4-[pentyl(propan-2-yl)amino]quinolin-2-yl]methanol
CID 63445535
4-(dipropylamino)quinoline-2-carboxylic acid
CID 63528337
2-(aminomethyl)-N-(furan-2-ylmethyl)-N-methylquinolin-4-amine
CID 63374307
2-(aminomethyl)-N-methyl-N-(1-methylpiperidin-4-yl)quinolin-4-amine
CID 63373861

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N,N-dibutylquinolin-4-amine?
The IUPAC name of 2-(aminomethyl)-N,N-dibutylquinolin-4-amine (CID 63374040) is 2-(aminomethyl)-N,N-dibutylquinolin-4-amine.
What is the SMILES notation for 2-(aminomethyl)-N,N-dibutylquinolin-4-amine?
The canonical SMILES for 2-(aminomethyl)-N,N-dibutylquinolin-4-amine is CCCCN(CCCC)c1cc(CN)nc2ccccc12.
What is the InChIKey of 2-(aminomethyl)-N,N-dibutylquinolin-4-amine?
The InChIKey is VQQURKYEXTXVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-3-5-11-21(12-6-4-2)18-13-15(14-19)20-17-10-8-7-9-16(17)18/h7-10,13H,3-6,11-12,14,19H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N,N-dibutylquinolin-4-amine?
2-(aminomethyl)-N,N-dibutylquinolin-4-amine has a molecular weight of 285.44 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 2-(aminomethyl)-N,N-dibutylquinolin-4-amine is sourced from PubChem (CID 63374040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).