4-N-[(2-methylcyclopentyl)methyl]quinoline-4,7-diamine

C16H21N3 — CID 107416668

IUPAC4-N-[(2-methylcyclopentyl)methyl]quinoline-4,7-diamine
SMILESCC1CCCC1CNc1ccnc2cc(N)ccc12
InChIInChI=1S/C16H21N3/c1-11-3-2-4-12(11)10-19-15-7-8-18-16-9-13(17)5-6-14(15)16/h5-9,11-12H,2-4,10,17H2,1H3,(H,18,19)
InChIKeyBMWTVASDLWUYRU-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.67
Rot. Bonds3

About 4-N-[(2-methylcyclopentyl)methyl]quinoline-4,7-diamine

4-N-[(2-methylcyclopentyl)methyl]quinoline-4,7-diamine (PubChem CID 107416668) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 4-N-[(2-methylcyclopentyl)methyl]quinoline-4,7-diamine.

Molecular Properties

Compound Name4-N-[(2-methylcyclopentyl)methyl]quinoline-4,7-diamine
PubChem CID107416668
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name4-N-[(2-methylcyclopentyl)methyl]quinoline-4,7-diamine
SMILESCC1CCCC1CNc1ccnc2cc(N)ccc12
InChIInChI=1S/C16H21N3/c1-11-3-2-4-12(11)10-19-15-7-8-18-16-9-13(17)5-6-14(15)16/h5-9,11-12H,2-4,10,17H2,1H3,(H,18,19)
InChIKeyBMWTVASDLWUYRU-UHFFFAOYSA-N
XLogP3.67
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-N-[(4-methylcyclohexyl)methyl]quinoline-4,7-diamine
CID 103001147
3-[[(7-aminoquinolin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106120055
4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]quinoline-4,7-diamine
CID 103001451
4-N-(oxan-2-ylmethyl)quinoline-4,7-diamine
CID 103000863
4-N-(2-ethylcyclohexyl)quinoline-4,7-diamine
CID 103000682
4-N-(2-cyclohexylethyl)quinoline-4,7-diamine
CID 103000540
7-bromo-N-[(2-methylcyclopentyl)methyl]-1,5-naphthyridin-4-amine
CID 107419345
2-N-[(2-methylcyclopentyl)methyl]-1,3-benzoxazole-2,5-diamine
CID 107416631
4-N-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-4,7-diamine
CID 103000573
2-[(7-aminoquinolin-4-yl)amino]-1-cyclopropylethanol
CID 103001162
6-amino-2-[(2-methylcyclopentyl)methylamino]-3H-quinazolin-4-one
CID 136867407
3-[(7-aminoquinolin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 103001581

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-methylcyclopentyl)methyl]quinoline-4,7-diamine?
The IUPAC name of 4-N-[(2-methylcyclopentyl)methyl]quinoline-4,7-diamine (CID 107416668) is 4-N-[(2-methylcyclopentyl)methyl]quinoline-4,7-diamine.
What is the SMILES notation for 4-N-[(2-methylcyclopentyl)methyl]quinoline-4,7-diamine?
The canonical SMILES for 4-N-[(2-methylcyclopentyl)methyl]quinoline-4,7-diamine is CC1CCCC1CNc1ccnc2cc(N)ccc12.
What is the InChIKey of 4-N-[(2-methylcyclopentyl)methyl]quinoline-4,7-diamine?
The InChIKey is BMWTVASDLWUYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-11-3-2-4-12(11)10-19-15-7-8-18-16-9-13(17)5-6-14(15)16/h5-9,11-12H,2-4,10,17H2,1H3,(H,18,19).
What are the key properties of 4-N-[(2-methylcyclopentyl)methyl]quinoline-4,7-diamine?
4-N-[(2-methylcyclopentyl)methyl]quinoline-4,7-diamine has a molecular weight of 255.37 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-methylcyclopentyl)methyl]quinoline-4,7-diamine is sourced from PubChem (CID 107416668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).