5-N-(cyclohexylmethyl)quinoline-5,8-diamine

C16H21N3 — CID 43449567

IUPAC5-N-(cyclohexylmethyl)quinoline-5,8-diamine
SMILESNc1ccc(NCC2CCCCC2)c2cccnc12
InChIInChI=1S/C16H21N3/c17-14-8-9-15(13-7-4-10-18-16(13)14)19-11-12-5-2-1-3-6-12/h4,7-10,12,19H,1-3,5-6,11,17H2
InChIKeySIMBKGVVOVVSSG-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.81
Rot. Bonds3

About 5-N-(cyclohexylmethyl)quinoline-5,8-diamine

5-N-(cyclohexylmethyl)quinoline-5,8-diamine (PubChem CID 43449567) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 5-N-(cyclohexylmethyl)quinoline-5,8-diamine.

Molecular Properties

Compound Name5-N-(cyclohexylmethyl)quinoline-5,8-diamine
PubChem CID43449567
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name5-N-(cyclohexylmethyl)quinoline-5,8-diamine
SMILESNc1ccc(NCC2CCCCC2)c2cccnc12
InChIInChI=1S/C16H21N3/c17-14-8-9-15(13-7-4-10-18-16(13)14)19-11-12-5-2-1-3-6-12/h4,7-10,12,19H,1-3,5-6,11,17H2
InChIKeySIMBKGVVOVVSSG-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
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-[(4-methylcyclohexyl)methyl]quinoline-5,8-diamine
CID 63243660
N-(cyclohexylmethyl)-8-nitroquinolin-5-amine
CID 43386314
N-(8-aminoquinolin-5-yl)-3-cyclopentylpropanamide
CID 104826466
5-N-(2-cyclopropylpropyl)quinoline-5,8-diamine
CID 113474938
4-N-(cyclohexylmethyl)-2,1,3-benzoxadiazole-4,7-diamine
CID 43518623
6-N-(2-cyclohexylethyl)quinoline-5,6-diamine
CID 60919863
5-amino-N-(cyclopentylmethyl)quinoline-8-sulfonamide
CID 104850349
5-N-(3-pyrrolidin-1-ylpropyl)quinoline-5,8-diamine
CID 62991925
5-N-(2-ethoxy-2-methylpropyl)quinoline-5,8-diamine
CID 114940553
[1-[[(8-aminoquinolin-5-yl)amino]methyl]cyclopentyl]methanol
CID 115358035
5-N-(2-pyridin-4-ylethyl)quinoline-5,8-diamine
CID 60915115
5-N-(2,6-dimethylpiperidin-1-yl)quinoline-5,8-diamine
CID 83004330

Frequently Asked Questions

What is the IUPAC name of 5-N-(cyclohexylmethyl)quinoline-5,8-diamine?
The IUPAC name of 5-N-(cyclohexylmethyl)quinoline-5,8-diamine (CID 43449567) is 5-N-(cyclohexylmethyl)quinoline-5,8-diamine.
What is the SMILES notation for 5-N-(cyclohexylmethyl)quinoline-5,8-diamine?
The canonical SMILES for 5-N-(cyclohexylmethyl)quinoline-5,8-diamine is Nc1ccc(NCC2CCCCC2)c2cccnc12.
What is the InChIKey of 5-N-(cyclohexylmethyl)quinoline-5,8-diamine?
The InChIKey is SIMBKGVVOVVSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c17-14-8-9-15(13-7-4-10-18-16(13)14)19-11-12-5-2-1-3-6-12/h4,7-10,12,19H,1-3,5-6,11,17H2.
What are the key properties of 5-N-(cyclohexylmethyl)quinoline-5,8-diamine?
5-N-(cyclohexylmethyl)quinoline-5,8-diamine has a molecular weight of 255.37 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(cyclohexylmethyl)quinoline-5,8-diamine is sourced from PubChem (CID 43449567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).