2-N-(5-chloroquinolin-8-yl)-2,4-dimethylpentane-1,2-diamine

C16H22ClN3 — CID 116783607

IUPAC2-N-(5-chloroquinolin-8-yl)-2,4-dimethylpentane-1,2-diamine
SMILESCC(C)CC(C)(CN)Nc1ccc(Cl)c2cccnc12
InChIInChI=1S/C16H22ClN3/c1-11(2)9-16(3,10-18)20-14-7-6-13(17)12-5-4-8-19-15(12)14/h4-8,11,20H,9-10,18H2,1-3H3
InChIKeyNRRVLDWVXFWQNE-UHFFFAOYSA-N
MW291.83 g/mol
LogP4.06
Rot. Bonds5

About 2-N-(5-chloroquinolin-8-yl)-2,4-dimethylpentane-1,2-diamine

2-N-(5-chloroquinolin-8-yl)-2,4-dimethylpentane-1,2-diamine (PubChem CID 116783607) has the molecular formula C16H22ClN3 and a molecular weight of 291.83 g/mol. Its IUPAC name is 2-N-(5-chloroquinolin-8-yl)-2,4-dimethylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-(5-chloroquinolin-8-yl)-2,4-dimethylpentane-1,2-diamine
PubChem CID116783607
Molecular FormulaC16H22ClN3
Molecular Weight291.83 g/mol
Exact Mass291.15
IUPAC Name2-N-(5-chloroquinolin-8-yl)-2,4-dimethylpentane-1,2-diamine
SMILESCC(C)CC(C)(CN)Nc1ccc(Cl)c2cccnc12
InChIInChI=1S/C16H22ClN3/c1-11(2)9-16(3,10-18)20-14-7-6-13(17)12-5-4-8-19-15(12)14/h4-8,11,20H,9-10,18H2,1-3H3
InChIKeyNRRVLDWVXFWQNE-UHFFFAOYSA-N
XLogP4.06
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.83
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(5-chloroquinolin-8-yl)-3-methoxy-2-methylbutane-1,2-diamine
CID 116783631
2,4-dimethyl-2-N-(2-nitro-3-pyridinyl)pentane-1,2-diamine
CID 104540937
2-N-(2-chloro-5-fluorophenyl)-2,4-dimethylpentane-1,2-diamine
CID 107527946
5-chloro-N-(2,2-dimethoxyethyl)quinolin-8-amine
CID 63696724
4-[(5-chloroquinolin-8-yl)amino]-2-methylbutan-2-ol
CID 116783853
3-chloro-N-(5-chloroquinolin-8-yl)-2,2-dimethylpropanamide
CID 63680758
3-[(5-chloroquinolin-8-yl)amino]-2-hydroxy-2-methylpropanoic acid
CID 116783958
2-[(5-chloroquinolin-8-yl)amino]propanoic acid
CID 66172326
N-butan-2-yl-2-[(5-chloroquinolin-8-yl)amino]acetamide
CID 116783982
3-N-(5-chloroquinolin-8-yl)-5-methylbenzene-1,3-diamine
CID 116783012
3-amino-N-(5-chloroquinolin-8-yl)-2,2,3-trimethylbutanamide
CID 65269986
2-[(5-chloroquinolin-8-yl)amino]acetic acid
CID 116783965

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-chloroquinolin-8-yl)-2,4-dimethylpentane-1,2-diamine?
The IUPAC name of 2-N-(5-chloroquinolin-8-yl)-2,4-dimethylpentane-1,2-diamine (CID 116783607) is 2-N-(5-chloroquinolin-8-yl)-2,4-dimethylpentane-1,2-diamine.
What is the SMILES notation for 2-N-(5-chloroquinolin-8-yl)-2,4-dimethylpentane-1,2-diamine?
The canonical SMILES for 2-N-(5-chloroquinolin-8-yl)-2,4-dimethylpentane-1,2-diamine is CC(C)CC(C)(CN)Nc1ccc(Cl)c2cccnc12.
What is the InChIKey of 2-N-(5-chloroquinolin-8-yl)-2,4-dimethylpentane-1,2-diamine?
The InChIKey is NRRVLDWVXFWQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3/c1-11(2)9-16(3,10-18)20-14-7-6-13(17)12-5-4-8-19-15(12)14/h4-8,11,20H,9-10,18H2,1-3H3.
What are the key properties of 2-N-(5-chloroquinolin-8-yl)-2,4-dimethylpentane-1,2-diamine?
2-N-(5-chloroquinolin-8-yl)-2,4-dimethylpentane-1,2-diamine has a molecular weight of 291.83 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-chloroquinolin-8-yl)-2,4-dimethylpentane-1,2-diamine is sourced from PubChem (CID 116783607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).