2-N-(2,2-dimethylcyclopentyl)quinoline-2,6-diamine

C16H21N3 — CID 79861402

IUPAC2-N-(2,2-dimethylcyclopentyl)quinoline-2,6-diamine
SMILESCC1(C)CCCC1Nc1ccc2cc(N)ccc2n1
InChIInChI=1S/C16H21N3/c1-16(2)9-3-4-14(16)19-15-8-5-11-10-12(17)6-7-13(11)18-15/h5-8,10,14H,3-4,9,17H2,1-2H3,(H,18,19)
InChIKeyDJMFXYMCXPENGP-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.81
Rot. Bonds2

About 2-N-(2,2-dimethylcyclopentyl)quinoline-2,6-diamine

2-N-(2,2-dimethylcyclopentyl)quinoline-2,6-diamine (PubChem CID 79861402) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 2-N-(2,2-dimethylcyclopentyl)quinoline-2,6-diamine.

Molecular Properties

Compound Name2-N-(2,2-dimethylcyclopentyl)quinoline-2,6-diamine
PubChem CID79861402
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name2-N-(2,2-dimethylcyclopentyl)quinoline-2,6-diamine
SMILESCC1(C)CCCC1Nc1ccc2cc(N)ccc2n1
InChIInChI=1S/C16H21N3/c1-16(2)9-3-4-14(16)19-15-8-5-11-10-12(17)6-7-13(11)18-15/h5-8,10,14H,3-4,9,17H2,1-2H3,(H,18,19)
InChIKeyDJMFXYMCXPENGP-UHFFFAOYSA-N
XLogP3.81
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
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

2-N-(2,2-dimethylcyclohexyl)quinoline-2,6-diamine
CID 79861490
2-N-cyclobutylquinoline-2,6-diamine
CID 62414145
2-N-(2,2-dimethylcyclohexyl)-1,3-benzoxazole-2,6-diamine
CID 79892885
2-N-(2-ethylcyclohexyl)quinoline-2,6-diamine
CID 63402589
4-[(6-aminoquinolin-2-yl)amino]cyclohexan-1-ol
CID 43450840
2-chloro-1-N-(2,2-dimethylcyclohexyl)benzene-1,4-diamine
CID 79860993
4-N-(2,2-dimethylcyclopentyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80850169
2-N-(4-propylcyclohexyl)quinoline-2,6-diamine
CID 63402555
N-(2,2-dimethylcyclopentyl)-2-methylpyrimidin-4-amine
CID 79838962
2-N-(2,2-dimethylcyclopentyl)pyrazine-2,6-diamine
CID 79840009
1-[[(6-aminoquinolin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol
CID 65117031
1-N-(2,2-dimethylcyclohexyl)-2-methylbenzene-1,4-diamine
CID 79861808

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,2-dimethylcyclopentyl)quinoline-2,6-diamine?
The IUPAC name of 2-N-(2,2-dimethylcyclopentyl)quinoline-2,6-diamine (CID 79861402) is 2-N-(2,2-dimethylcyclopentyl)quinoline-2,6-diamine.
What is the SMILES notation for 2-N-(2,2-dimethylcyclopentyl)quinoline-2,6-diamine?
The canonical SMILES for 2-N-(2,2-dimethylcyclopentyl)quinoline-2,6-diamine is CC1(C)CCCC1Nc1ccc2cc(N)ccc2n1.
What is the InChIKey of 2-N-(2,2-dimethylcyclopentyl)quinoline-2,6-diamine?
The InChIKey is DJMFXYMCXPENGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-16(2)9-3-4-14(16)19-15-8-5-11-10-12(17)6-7-13(11)18-15/h5-8,10,14H,3-4,9,17H2,1-2H3,(H,18,19).
What are the key properties of 2-N-(2,2-dimethylcyclopentyl)quinoline-2,6-diamine?
2-N-(2,2-dimethylcyclopentyl)quinoline-2,6-diamine has a molecular weight of 255.37 g/mol, XLogP of 3.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,2-dimethylcyclopentyl)quinoline-2,6-diamine is sourced from PubChem (CID 79861402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).