1-(2,2-dimethylcyclopentyl)-N,3-dimethylbutan-1-amine

C13H27N — CID 107187759

IUPAC1-(2,2-dimethylcyclopentyl)-N,3-dimethylbutan-1-amine
SMILESCNC(CC(C)C)C1CCCC1(C)C
InChIInChI=1S/C13H27N/c1-10(2)9-12(14-5)11-7-6-8-13(11,3)4/h10-12,14H,6-9H2,1-5H3
InChIKeyHPQCESIRRXDWHP-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.45
Rot. Bonds4

About 1-(2,2-dimethylcyclopentyl)-N,3-dimethylbutan-1-amine

1-(2,2-dimethylcyclopentyl)-N,3-dimethylbutan-1-amine (PubChem CID 107187759) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopentyl)-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopentyl)-N,3-dimethylbutan-1-amine
PubChem CID107187759
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name1-(2,2-dimethylcyclopentyl)-N,3-dimethylbutan-1-amine
SMILESCNC(CC(C)C)C1CCCC1(C)C
InChIInChI=1S/C13H27N/c1-10(2)9-12(14-5)11-7-6-8-13(11,3)4/h10-12,14H,6-9H2,1-5H3
InChIKeyHPQCESIRRXDWHP-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,2-dimethylcyclopentyl)-N-ethyl-3-methylbutan-1-amine
CID 107187753
1-(2,2-dimethylcyclohexyl)-N,4-dimethylpentan-1-amine
CID 107188192
1-(2,2-dimethylcyclohexyl)-N-methylpropan-1-amine
CID 79852591
1-(2,2-dimethylcyclopentyl)-N-methylethanamine
CID 79862783
1-(2,2-dimethylcyclopentyl)-N-methyloctan-1-amine
CID 107188160
1-(2,2-dimethylcyclopentyl)-N-methyl-2-propoxyethanamine
CID 107189868
1-(2,2-dimethylcyclopentyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 107188347
1,1-dimethyl-2-propan-2-ylcyclopentane
CID 23384810
1-(2,2-dimethylcyclopentyl)-N-ethylpropan-1-amine
CID 79863310
1-cyclohexyl-1-(2,2-dimethylcyclopentyl)-N-methylmethanamine
CID 107187738
1-cyclobutyl-N,3-dimethylbutan-1-amine
CID 64986919
1-(2,2-dimethylcyclopentyl)-N-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
CID 107189619

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopentyl)-N,3-dimethylbutan-1-amine?
The IUPAC name of 1-(2,2-dimethylcyclopentyl)-N,3-dimethylbutan-1-amine (CID 107187759) is 1-(2,2-dimethylcyclopentyl)-N,3-dimethylbutan-1-amine.
What is the SMILES notation for 1-(2,2-dimethylcyclopentyl)-N,3-dimethylbutan-1-amine?
The canonical SMILES for 1-(2,2-dimethylcyclopentyl)-N,3-dimethylbutan-1-amine is CNC(CC(C)C)C1CCCC1(C)C.
What is the InChIKey of 1-(2,2-dimethylcyclopentyl)-N,3-dimethylbutan-1-amine?
The InChIKey is HPQCESIRRXDWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-10(2)9-12(14-5)11-7-6-8-13(11,3)4/h10-12,14H,6-9H2,1-5H3.
What are the key properties of 1-(2,2-dimethylcyclopentyl)-N,3-dimethylbutan-1-amine?
1-(2,2-dimethylcyclopentyl)-N,3-dimethylbutan-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopentyl)-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 107187759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).