2-N-cycloheptyl-2-N-methylquinoline-2,6-diamine

C17H23N3 — CID 43613779

IUPAC2-N-cycloheptyl-2-N-methylquinoline-2,6-diamine
SMILESCN(c1ccc2cc(N)ccc2n1)C1CCCCCC1
InChIInChI=1S/C17H23N3/c1-20(15-6-4-2-3-5-7-15)17-11-8-13-12-14(18)9-10-16(13)19-17/h8-12,15H,2-7,18H2,1H3
InChIKeyNVBLTAMOQWUZOX-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.98
Rot. Bonds2

About 2-N-cycloheptyl-2-N-methylquinoline-2,6-diamine

2-N-cycloheptyl-2-N-methylquinoline-2,6-diamine (PubChem CID 43613779) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-N-cycloheptyl-2-N-methylquinoline-2,6-diamine.

Molecular Properties

Compound Name2-N-cycloheptyl-2-N-methylquinoline-2,6-diamine
PubChem CID43613779
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name2-N-cycloheptyl-2-N-methylquinoline-2,6-diamine
SMILESCN(c1ccc2cc(N)ccc2n1)C1CCCCCC1
InChIInChI=1S/C17H23N3/c1-20(15-6-4-2-3-5-7-15)17-11-8-13-12-14(18)9-10-16(13)19-17/h8-12,15H,2-7,18H2,1H3
InChIKeyNVBLTAMOQWUZOX-UHFFFAOYSA-N
XLogP3.98
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-N-cycloheptyl-4-N-methylpyrimidine-2,4,6-triamine
CID 80788881
3-N-cycloheptyl-3-N-methylbenzene-1,3-diamine
CID 43613770
2-[(6-aminoquinolin-2-yl)-methylamino]-N-cyclopropylacetamide
CID 43577856
3-N-cyclohexyl-3-N-methyl-2H-1,4-benzoxazine-3,6-diamine
CID 82368074
N-cyclohexyl-N,6-dimethylpyridin-2-amine
CID 133313190
2-N-cyclobutylquinoline-2,6-diamine
CID 62414145
4-[(6-aminoquinolin-2-yl)-methylamino]benzonitrile
CID 62981426
2-N-cyclopentyl-2-N-methyl-6-propan-2-yloxypyridine-2,5-diamine
CID 43266923
2-N-(2,2-dimethylcyclohexyl)quinoline-2,6-diamine
CID 79861490
2-[[cyclohexyl(methyl)amino]methyl]-3H-benzimidazol-5-amine
CID 43375602
2-N-(2,4-dimethylphenyl)-2-N-methylquinoline-2,6-diamine
CID 62003185
6-N-cycloheptyl-6-N-methylisoquinoline-5,6-diamine
CID 106947696

Frequently Asked Questions

What is the IUPAC name of 2-N-cycloheptyl-2-N-methylquinoline-2,6-diamine?
The IUPAC name of 2-N-cycloheptyl-2-N-methylquinoline-2,6-diamine (CID 43613779) is 2-N-cycloheptyl-2-N-methylquinoline-2,6-diamine.
What is the SMILES notation for 2-N-cycloheptyl-2-N-methylquinoline-2,6-diamine?
The canonical SMILES for 2-N-cycloheptyl-2-N-methylquinoline-2,6-diamine is CN(c1ccc2cc(N)ccc2n1)C1CCCCCC1.
What is the InChIKey of 2-N-cycloheptyl-2-N-methylquinoline-2,6-diamine?
The InChIKey is NVBLTAMOQWUZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-20(15-6-4-2-3-5-7-15)17-11-8-13-12-14(18)9-10-16(13)19-17/h8-12,15H,2-7,18H2,1H3.
What are the key properties of 2-N-cycloheptyl-2-N-methylquinoline-2,6-diamine?
2-N-cycloheptyl-2-N-methylquinoline-2,6-diamine has a molecular weight of 269.39 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cycloheptyl-2-N-methylquinoline-2,6-diamine is sourced from PubChem (CID 43613779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).