1-(2,2-dimethylcyclopentyl)-N-methyloctan-1-amine

C16H33N — CID 107188160

IUPAC1-(2,2-dimethylcyclopentyl)-N-methyloctan-1-amine
SMILESCCCCCCCC(NC)C1CCCC1(C)C
InChIInChI=1S/C16H33N/c1-5-6-7-8-9-12-15(17-4)14-11-10-13-16(14,2)3/h14-15,17H,5-13H2,1-4H3
InChIKeyDIALNOVBQCHAKO-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.76
Rot. Bonds8

About 1-(2,2-dimethylcyclopentyl)-N-methyloctan-1-amine

1-(2,2-dimethylcyclopentyl)-N-methyloctan-1-amine (PubChem CID 107188160) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopentyl)-N-methyloctan-1-amine.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopentyl)-N-methyloctan-1-amine
PubChem CID107188160
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name1-(2,2-dimethylcyclopentyl)-N-methyloctan-1-amine
SMILESCCCCCCCC(NC)C1CCCC1(C)C
InChIInChI=1S/C16H33N/c1-5-6-7-8-9-12-15(17-4)14-11-10-13-16(14,2)3/h14-15,17H,5-13H2,1-4H3
InChIKeyDIALNOVBQCHAKO-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2,2-dimethylcyclohexyl)decylhydrazine
CID 107193551
1-(2,2-dimethylcyclohexyl)-N-methylpropan-1-amine
CID 79852591
1-(2,2-dimethylcyclohexyl)-N,4-dimethylpentan-1-amine
CID 107188192
1-(2,2-dimethylcyclopentyl)-N-methyl-2-propoxyethanamine
CID 107189868
1-(2,2-dimethylcyclopentyl)-N,3-dimethylbutan-1-amine
CID 107187759
1-(2,2-dimethylcyclopentyl)-N,3-diethylheptan-1-amine
CID 107187925
N-methyl-1-(4-propan-2-ylcyclohexyl)heptan-1-amine
CID 65425541
N-methyl-1-(4-methylcyclohexyl)nonan-1-amine
CID 63415649
1-(2,2-dimethylcyclopentyl)-N-ethylpropan-1-amine
CID 79863310
1-(2,2-dimethylcyclopentyl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 107188047
N-methyl-1-(4-propylcyclohexyl)heptan-1-amine
CID 65423768
1-(2,2-dimethylcyclohexyl)-N-ethylhex-5-en-1-amine
CID 107189124

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopentyl)-N-methyloctan-1-amine?
The IUPAC name of 1-(2,2-dimethylcyclopentyl)-N-methyloctan-1-amine (CID 107188160) is 1-(2,2-dimethylcyclopentyl)-N-methyloctan-1-amine.
What is the SMILES notation for 1-(2,2-dimethylcyclopentyl)-N-methyloctan-1-amine?
The canonical SMILES for 1-(2,2-dimethylcyclopentyl)-N-methyloctan-1-amine is CCCCCCCC(NC)C1CCCC1(C)C.
What is the InChIKey of 1-(2,2-dimethylcyclopentyl)-N-methyloctan-1-amine?
The InChIKey is DIALNOVBQCHAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-5-6-7-8-9-12-15(17-4)14-11-10-13-16(14,2)3/h14-15,17H,5-13H2,1-4H3.
What are the key properties of 1-(2,2-dimethylcyclopentyl)-N-methyloctan-1-amine?
1-(2,2-dimethylcyclopentyl)-N-methyloctan-1-amine has a molecular weight of 239.45 g/mol, XLogP of 4.76, 8 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-methyloctan-1-amine is sourced from PubChem (CID 107188160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).