3-(aminomethyl)-N-(3,3-dimethylcyclopentyl)quinolin-2-amine

C17H23N3 — CID 114543493

IUPAC3-(aminomethyl)-N-(3,3-dimethylcyclopentyl)quinolin-2-amine
SMILESCC1(C)CCC(Nc2nc3ccccc3cc2CN)C1
InChIInChI=1S/C17H23N3/c1-17(2)8-7-14(10-17)19-16-13(11-18)9-12-5-3-4-6-15(12)20-16/h3-6,9,14H,7-8,10-11,18H2,1-2H3,(H,19,20)
InChIKeyDLMLSAVODDHYRH-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.68
Rot. Bonds3

About 3-(aminomethyl)-N-(3,3-dimethylcyclopentyl)quinolin-2-amine

3-(aminomethyl)-N-(3,3-dimethylcyclopentyl)quinolin-2-amine (PubChem CID 114543493) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(3,3-dimethylcyclopentyl)quinolin-2-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-(3,3-dimethylcyclopentyl)quinolin-2-amine
PubChem CID114543493
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name3-(aminomethyl)-N-(3,3-dimethylcyclopentyl)quinolin-2-amine
SMILESCC1(C)CCC(Nc2nc3ccccc3cc2CN)C1
InChIInChI=1S/C17H23N3/c1-17(2)8-7-14(10-17)19-16-13(11-18)9-12-5-3-4-6-15(12)20-16/h3-6,9,14H,7-8,10-11,18H2,1-2H3,(H,19,20)
InChIKeyDLMLSAVODDHYRH-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-(3,3-dimethylcyclopentyl)quinoxaline-2,3-diamine
CID 102987502
3-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-5,6,7,8-tetrahydroquinolin-2-amine
CID 114543487
N-(3,3-dimethylcyclopentyl)isoquinolin-1-amine
CID 114548093
2-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-5-methylaniline
CID 114543498
4-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-3-methylaniline
CID 114543506
2-[(3,3-dimethylcyclopentyl)amino]quinoline-4-carbothioamide
CID 114546697
6-N-(3,3-dimethylcyclopentyl)pyridine-2,6-diamine
CID 114541691
3-N-(3,3-dimethylcyclopentyl)pyrazine-2,3-diamine
CID 103883799
4-N-(3,3-dimethylcyclopentyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 114542352
N-(3,3-dimethylcyclopentyl)-2,6-difluoroaniline
CID 80692653
2-N-(3,3-dimethylcyclopentyl)-3-methylpyridine-2,5-diamine
CID 114543290
4-N-(3,3-dimethylcyclopentyl)-5-ethylpyrimidine-4,6-diamine
CID 114542173

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(3,3-dimethylcyclopentyl)quinolin-2-amine?
The IUPAC name of 3-(aminomethyl)-N-(3,3-dimethylcyclopentyl)quinolin-2-amine (CID 114543493) is 3-(aminomethyl)-N-(3,3-dimethylcyclopentyl)quinolin-2-amine.
What is the SMILES notation for 3-(aminomethyl)-N-(3,3-dimethylcyclopentyl)quinolin-2-amine?
The canonical SMILES for 3-(aminomethyl)-N-(3,3-dimethylcyclopentyl)quinolin-2-amine is CC1(C)CCC(Nc2nc3ccccc3cc2CN)C1.
What is the InChIKey of 3-(aminomethyl)-N-(3,3-dimethylcyclopentyl)quinolin-2-amine?
The InChIKey is DLMLSAVODDHYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-17(2)8-7-14(10-17)19-16-13(11-18)9-12-5-3-4-6-15(12)20-16/h3-6,9,14H,7-8,10-11,18H2,1-2H3,(H,19,20).
What are the key properties of 3-(aminomethyl)-N-(3,3-dimethylcyclopentyl)quinolin-2-amine?
3-(aminomethyl)-N-(3,3-dimethylcyclopentyl)quinolin-2-amine has a molecular weight of 269.39 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(3,3-dimethylcyclopentyl)quinolin-2-amine is sourced from PubChem (CID 114543493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).