1-N,1-N-diethyl-4-N-(2-methylquinolin-4-yl)pentane-1,4-diamine

C19H29N3 — CID 112810281

IUPAC1-N,1-N-diethyl-4-N-(2-methylquinolin-4-yl)pentane-1,4-diamine
SMILESCCN(CC)CCCC(C)Nc1cc(C)nc2ccccc12
InChIInChI=1S/C19H29N3/c1-5-22(6-2)13-9-10-15(3)20-19-14-16(4)21-18-12-8-7-11-17(18)19/h7-8,11-12,14-15H,5-6,9-10,13H2,1-4H3,(H,20,21)
InChIKeyIZNZCUVAAPISHP-UHFFFAOYSA-N
MW299.46 g/mol
LogP4.47
Rot. Bonds8

About 1-N,1-N-diethyl-4-N-(2-methylquinolin-4-yl)pentane-1,4-diamine

1-N,1-N-diethyl-4-N-(2-methylquinolin-4-yl)pentane-1,4-diamine (PubChem CID 112810281) has the molecular formula C19H29N3 and a molecular weight of 299.46 g/mol. Its IUPAC name is 1-N,1-N-diethyl-4-N-(2-methylquinolin-4-yl)pentane-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N-diethyl-4-N-(2-methylquinolin-4-yl)pentane-1,4-diamine
PubChem CID112810281
Molecular FormulaC19H29N3
Molecular Weight299.46 g/mol
Exact Mass299.24
IUPAC Name1-N,1-N-diethyl-4-N-(2-methylquinolin-4-yl)pentane-1,4-diamine
SMILESCCN(CC)CCCC(C)Nc1cc(C)nc2ccccc12
InChIInChI=1S/C19H29N3/c1-5-22(6-2)13-9-10-15(3)20-19-14-16(4)21-18-12-8-7-11-17(18)19/h7-8,11-12,14-15H,5-6,9-10,13H2,1-4H3,(H,20,21)
InChIKeyIZNZCUVAAPISHP-UHFFFAOYSA-N
XLogP4.47
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(5-methylhexan-2-yl)quinolin-4-amine
CID 63926717
(4R)-1-N,1-N-diethyl-4-N-naphthalen-1-ylpentane-1,4-diamine
CID 129412307
4-N-(3-chloroacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 23422070
4-N-(2-chloro-4-methylbenzo[c][2,7]naphthyridin-5-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 15946061
N-[4-(furan-2-yl)butan-2-yl]-2-methylquinolin-4-amine
CID 60716310
(4S)-1-N,1-N-diethyl-4-N-quinolin-2-ylpentane-1,4-diamine
CID 36691119
4-N-(2-bromo-4-methylacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine;hydrochloride
CID 21144133
N-(4-chloro-3-methylbutan-2-yl)-2-methylquinolin-4-amine
CID 113484976
N',N'-diethyl-N-[(2-methylquinolin-4-yl)methyl]propane-1,3-diamine
CID 78943020
1-N,1-N-diethyl-4-N-[6-methyl-2-[(E)-2-(4-methylphenyl)ethenyl]quinolin-4-yl]pentane-1,4-diamine
CID 89398882
2-methyl-N-(1-thiophen-2-ylpropan-2-yl)quinolin-4-amine
CID 63540902
1-N,1-N-diethyl-4-N-(2-phenylquinazolin-4-yl)pentane-1,4-diamine;phosphoric acid
CID 131880768

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-4-N-(2-methylquinolin-4-yl)pentane-1,4-diamine?
The IUPAC name of 1-N,1-N-diethyl-4-N-(2-methylquinolin-4-yl)pentane-1,4-diamine (CID 112810281) is 1-N,1-N-diethyl-4-N-(2-methylquinolin-4-yl)pentane-1,4-diamine.
What is the SMILES notation for 1-N,1-N-diethyl-4-N-(2-methylquinolin-4-yl)pentane-1,4-diamine?
The canonical SMILES for 1-N,1-N-diethyl-4-N-(2-methylquinolin-4-yl)pentane-1,4-diamine is CCN(CC)CCCC(C)Nc1cc(C)nc2ccccc12.
What is the InChIKey of 1-N,1-N-diethyl-4-N-(2-methylquinolin-4-yl)pentane-1,4-diamine?
The InChIKey is IZNZCUVAAPISHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3/c1-5-22(6-2)13-9-10-15(3)20-19-14-16(4)21-18-12-8-7-11-17(18)19/h7-8,11-12,14-15H,5-6,9-10,13H2,1-4H3,(H,20,21).
What are the key properties of 1-N,1-N-diethyl-4-N-(2-methylquinolin-4-yl)pentane-1,4-diamine?
1-N,1-N-diethyl-4-N-(2-methylquinolin-4-yl)pentane-1,4-diamine has a molecular weight of 299.46 g/mol, XLogP of 4.47, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethyl-4-N-(2-methylquinolin-4-yl)pentane-1,4-diamine is sourced from PubChem (CID 112810281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).