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

C17H23N3 — CID 103001147

IUPAC4-N-[(4-methylcyclohexyl)methyl]quinoline-4,7-diamine
SMILESCC1CCC(CNc2ccnc3cc(N)ccc23)CC1
InChIInChI=1S/C17H23N3/c1-12-2-4-13(5-3-12)11-20-16-8-9-19-17-10-14(18)6-7-15(16)17/h6-10,12-13H,2-5,11,18H2,1H3,(H,19,20)
InChIKeyJWFIWLOMCFOGPE-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.06
Rot. Bonds3

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

4-N-[(4-methylcyclohexyl)methyl]quinoline-4,7-diamine (PubChem CID 103001147) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-N-[(4-methylcyclohexyl)methyl]quinoline-4,7-diamine.

Molecular Properties

Compound Name4-N-[(4-methylcyclohexyl)methyl]quinoline-4,7-diamine
PubChem CID103001147
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name4-N-[(4-methylcyclohexyl)methyl]quinoline-4,7-diamine
SMILESCC1CCC(CNc2ccnc3cc(N)ccc23)CC1
InChIInChI=1S/C17H23N3/c1-12-2-4-13(5-3-12)11-20-16-8-9-19-17-10-14(18)6-7-15(16)17/h6-10,12-13H,2-5,11,18H2,1H3,(H,19,20)
InChIKeyJWFIWLOMCFOGPE-UHFFFAOYSA-N
XLogP4.06
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.06
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-[(2-methylcyclopentyl)methyl]quinoline-4,7-diamine
CID 107416668
3-[[(7-aminoquinolin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106120055
4-N-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-4,7-diamine
CID 103000573
4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]quinoline-4,7-diamine
CID 103001451
4-N-(2-cyclohexylethyl)quinoline-4,7-diamine
CID 103000540
4-N-(oxan-2-ylmethyl)quinoline-4,7-diamine
CID 103000863
4-N-(3-butoxypropyl)quinoline-4,7-diamine
CID 103001799
2-[(7-aminoquinolin-4-yl)amino]-1-cyclopropylethanol
CID 103001162
3-[(7-aminoquinolin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 103001581
4-N-[2-(dimethylamino)propyl]quinoline-4,7-diamine
CID 103000943
5-N-[(4-methylcyclohexyl)methyl]quinoline-5,8-diamine
CID 63243660
4-N-(2,2-dimethylcyclopropyl)quinoline-4,7-diamine
CID 103000945

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-methylcyclohexyl)methyl]quinoline-4,7-diamine?
The IUPAC name of 4-N-[(4-methylcyclohexyl)methyl]quinoline-4,7-diamine (CID 103001147) is 4-N-[(4-methylcyclohexyl)methyl]quinoline-4,7-diamine.
What is the SMILES notation for 4-N-[(4-methylcyclohexyl)methyl]quinoline-4,7-diamine?
The canonical SMILES for 4-N-[(4-methylcyclohexyl)methyl]quinoline-4,7-diamine is CC1CCC(CNc2ccnc3cc(N)ccc23)CC1.
What is the InChIKey of 4-N-[(4-methylcyclohexyl)methyl]quinoline-4,7-diamine?
The InChIKey is JWFIWLOMCFOGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-12-2-4-13(5-3-12)11-20-16-8-9-19-17-10-14(18)6-7-15(16)17/h6-10,12-13H,2-5,11,18H2,1H3,(H,19,20).
What are the key properties of 4-N-[(4-methylcyclohexyl)methyl]quinoline-4,7-diamine?
4-N-[(4-methylcyclohexyl)methyl]quinoline-4,7-diamine has a molecular weight of 269.39 g/mol, XLogP of 4.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-methylcyclohexyl)methyl]quinoline-4,7-diamine is sourced from PubChem (CID 103001147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).