5-N-[(4-methylcyclohexyl)methyl]quinoline-5,8-diamine

C17H23N3 — CID 63243660

IUPAC5-N-[(4-methylcyclohexyl)methyl]quinoline-5,8-diamine
SMILESCC1CCC(CNc2ccc(N)c3ncccc23)CC1
InChIInChI=1S/C17H23N3/c1-12-4-6-13(7-5-12)11-20-16-9-8-15(18)17-14(16)3-2-10-19-17/h2-3,8-10,12-13,20H,4-7,11,18H2,1H3
InChIKeyXZFZGBCMHWURDT-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.06
Rot. Bonds3

About 5-N-[(4-methylcyclohexyl)methyl]quinoline-5,8-diamine

5-N-[(4-methylcyclohexyl)methyl]quinoline-5,8-diamine (PubChem CID 63243660) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 5-N-[(4-methylcyclohexyl)methyl]quinoline-5,8-diamine.

Molecular Properties

Compound Name5-N-[(4-methylcyclohexyl)methyl]quinoline-5,8-diamine
PubChem CID63243660
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name5-N-[(4-methylcyclohexyl)methyl]quinoline-5,8-diamine
SMILESCC1CCC(CNc2ccc(N)c3ncccc23)CC1
InChIInChI=1S/C17H23N3/c1-12-4-6-13(7-5-12)11-20-16-9-8-15(18)17-14(16)3-2-10-19-17/h2-3,8-10,12-13,20H,4-7,11,18H2,1H3
InChIKeyXZFZGBCMHWURDT-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

5-N-(cyclohexylmethyl)quinoline-5,8-diamine
CID 43449567
5-N-(2-cyclopropylpropyl)quinoline-5,8-diamine
CID 113474938
2-methyl-N-[(4-methylcyclohexyl)methyl]pyridin-3-amine
CID 79042072
5-N-(2-ethoxy-2-methylpropyl)quinoline-5,8-diamine
CID 114940553
5-N-(2,6-dimethylpiperidin-1-yl)quinoline-5,8-diamine
CID 83004330
4-N-[(4-methylcyclohexyl)methyl]quinoline-4,7-diamine
CID 103001147
4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]quinoline-4,8-diamine
CID 83060905
5-N-[2-(diethylamino)ethyl]quinoline-5,8-diamine
CID 43449423
4-[[(5-aminoquinolin-6-yl)amino]methyl]cyclohexan-1-ol
CID 106120233
N-(cyclopropylmethyl)quinolin-5-amine
CID 43654866
3-[(8-aminoquinolin-5-yl)amino]-2-methylpropane-1,2-diol
CID 66170956
5-N-(5-methylhexyl)quinoline-5,8-diamine
CID 115324702

Frequently Asked Questions

What is the IUPAC name of 5-N-[(4-methylcyclohexyl)methyl]quinoline-5,8-diamine?
The IUPAC name of 5-N-[(4-methylcyclohexyl)methyl]quinoline-5,8-diamine (CID 63243660) is 5-N-[(4-methylcyclohexyl)methyl]quinoline-5,8-diamine.
What is the SMILES notation for 5-N-[(4-methylcyclohexyl)methyl]quinoline-5,8-diamine?
The canonical SMILES for 5-N-[(4-methylcyclohexyl)methyl]quinoline-5,8-diamine is CC1CCC(CNc2ccc(N)c3ncccc23)CC1.
What is the InChIKey of 5-N-[(4-methylcyclohexyl)methyl]quinoline-5,8-diamine?
The InChIKey is XZFZGBCMHWURDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-12-4-6-13(7-5-12)11-20-16-9-8-15(18)17-14(16)3-2-10-19-17/h2-3,8-10,12-13,20H,4-7,11,18H2,1H3.
What are the key properties of 5-N-[(4-methylcyclohexyl)methyl]quinoline-5,8-diamine?
5-N-[(4-methylcyclohexyl)methyl]quinoline-5,8-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 5-N-[(4-methylcyclohexyl)methyl]quinoline-5,8-diamine is sourced from PubChem (CID 63243660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).