1-(2,2,3-trimethylcyclopent-3-en-1-yl)pentan-3-amine

C13H25N — CID 170889531

IUPAC1-(2,2,3-trimethylcyclopent-3-en-1-yl)pentan-3-amine
SMILESCCC(N)CCC1CC=C(C)C1(C)C
InChIInChI=1S/C13H25N/c1-5-12(14)9-8-11-7-6-10(2)13(11,3)4/h6,11-12H,5,7-9,14H2,1-4H3
InChIKeyPFKPJPWZIIIADN-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.50
Rot. Bonds4

About 1-(2,2,3-trimethylcyclopent-3-en-1-yl)pentan-3-amine

1-(2,2,3-trimethylcyclopent-3-en-1-yl)pentan-3-amine (PubChem CID 170889531) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 1-(2,2,3-trimethylcyclopent-3-en-1-yl)pentan-3-amine.

Molecular Properties

Compound Name1-(2,2,3-trimethylcyclopent-3-en-1-yl)pentan-3-amine
PubChem CID170889531
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name1-(2,2,3-trimethylcyclopent-3-en-1-yl)pentan-3-amine
SMILESCCC(N)CCC1CC=C(C)C1(C)C
InChIInChI=1S/C13H25N/c1-5-12(14)9-8-11-7-6-10(2)13(11,3)4/h6,11-12H,5,7-9,14H2,1-4H3
InChIKeyPFKPJPWZIIIADN-UHFFFAOYSA-N
XLogP3.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,5,5-trimethyl-4-(3-methylpentyl)cyclopentene
CID 91102839
1,5,5-trimethyl-4-propylcyclopentene
CID 90979763
(2S,3R)-3-methyl-5-[(1S)-2,2,3-trimethylcyclopent-3-en-1-yl]pentan-2-ol
CID 98048650
2-ethyl-2-methyl-4-[(1S)-2,2,3-trimethylcyclopent-3-en-1-yl]butan-1-ol
CID 18604312
1,5,5-trimethyl-4-(3-methylidenepentyl)cyclopentene
CID 57232854
4-methyl-1-(2,2,3-trimethylcyclopent-3-en-1-yl)hexan-2-ol
CID 68811577
2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-1-en-1-ol
CID 77391294
(E)-4-methyl-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-4-en-3-ol
CID 6437265
(4S)-1,5,5-trimethyl-4-(nitrosomethyl)cyclopentene
CID 163857064
[(1S)-2,2,3-trimethylcyclopent-3-en-1-yl]methyl acetate
CID 101036086
(E)-2-ethyl-4-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]but-2-enal
CID 87757907
2-ethyl-4-[(1S)-2,2,3-trimethylcyclopent-3-en-1-yl]but-2-enal
CID 57290420

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,3-trimethylcyclopent-3-en-1-yl)pentan-3-amine?
The IUPAC name of 1-(2,2,3-trimethylcyclopent-3-en-1-yl)pentan-3-amine (CID 170889531) is 1-(2,2,3-trimethylcyclopent-3-en-1-yl)pentan-3-amine.
What is the SMILES notation for 1-(2,2,3-trimethylcyclopent-3-en-1-yl)pentan-3-amine?
The canonical SMILES for 1-(2,2,3-trimethylcyclopent-3-en-1-yl)pentan-3-amine is CCC(N)CCC1CC=C(C)C1(C)C.
What is the InChIKey of 1-(2,2,3-trimethylcyclopent-3-en-1-yl)pentan-3-amine?
The InChIKey is PFKPJPWZIIIADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-5-12(14)9-8-11-7-6-10(2)13(11,3)4/h6,11-12H,5,7-9,14H2,1-4H3.
What are the key properties of 1-(2,2,3-trimethylcyclopent-3-en-1-yl)pentan-3-amine?
1-(2,2,3-trimethylcyclopent-3-en-1-yl)pentan-3-amine has a molecular weight of 195.35 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,3-trimethylcyclopent-3-en-1-yl)pentan-3-amine is sourced from PubChem (CID 170889531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).