4-[[(3,3-dimethylcyclopentyl)amino]methyl]cyclopent-2-en-1-amine

C13H24N2 — CID 114547597

IUPAC4-[[(3,3-dimethylcyclopentyl)amino]methyl]cyclopent-2-en-1-amine
SMILESCC1(C)CCC(NCC2C=CC(N)C2)C1
InChIInChI=1S/C13H24N2/c1-13(2)6-5-12(8-13)15-9-10-3-4-11(14)7-10/h3-4,10-12,15H,5-9,14H2,1-2H3
InChIKeyNHEKTLJSLNIJFJ-UHFFFAOYSA-N
MW208.35 g/mol
LogP2.06
Rot. Bonds3

About 4-[[(3,3-dimethylcyclopentyl)amino]methyl]cyclopent-2-en-1-amine

4-[[(3,3-dimethylcyclopentyl)amino]methyl]cyclopent-2-en-1-amine (PubChem CID 114547597) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 4-[[(3,3-dimethylcyclopentyl)amino]methyl]cyclopent-2-en-1-amine.

Molecular Properties

Compound Name4-[[(3,3-dimethylcyclopentyl)amino]methyl]cyclopent-2-en-1-amine
PubChem CID114547597
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name4-[[(3,3-dimethylcyclopentyl)amino]methyl]cyclopent-2-en-1-amine
SMILESCC1(C)CCC(NCC2C=CC(N)C2)C1
InChIInChI=1S/C13H24N2/c1-13(2)6-5-12(8-13)15-9-10-3-4-11(14)7-10/h3-4,10-12,15H,5-9,14H2,1-2H3
InChIKeyNHEKTLJSLNIJFJ-UHFFFAOYSA-N
XLogP2.06
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,3-dimethyl-N-propylcyclopentan-1-amine
CID 20709207
N-[[1-(aminomethyl)cyclopropyl]methyl]-3,3-dimethylcyclopentan-1-amine
CID 114547571
2-[[(3,3-dimethylcyclopentyl)amino]methyl]cyclohexan-1-ol
CID 80705865
1-N-(3,3-dimethylcyclopentyl)butane-1,2-diamine
CID 114547491
3,3-dimethyl-N-[(3-methylcyclohexyl)methyl]cyclopentan-1-amine
CID 114544246
N-[(5-ethylfuran-2-yl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 115881484
3,3-dimethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]cyclohexan-1-amine
CID 79353545
(1S)-N-(cyclopropylmethyl)-3,3-dimethylcyclohexan-1-amine
CID 95371246
3,3-dimethyl-N-(piperidin-3-ylmethyl)cyclopentan-1-amine
CID 114544120
3,3-dimethyl-N-(oxan-3-ylmethyl)cyclopentan-1-amine
CID 80705483
3,3-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine
CID 114544213
N-[(2-ethyl-4,4-dimethylcyclohexyl)methyl]cyclopropanamine
CID 81030735

Frequently Asked Questions

What is the IUPAC name of 4-[[(3,3-dimethylcyclopentyl)amino]methyl]cyclopent-2-en-1-amine?
The IUPAC name of 4-[[(3,3-dimethylcyclopentyl)amino]methyl]cyclopent-2-en-1-amine (CID 114547597) is 4-[[(3,3-dimethylcyclopentyl)amino]methyl]cyclopent-2-en-1-amine.
What is the SMILES notation for 4-[[(3,3-dimethylcyclopentyl)amino]methyl]cyclopent-2-en-1-amine?
The canonical SMILES for 4-[[(3,3-dimethylcyclopentyl)amino]methyl]cyclopent-2-en-1-amine is CC1(C)CCC(NCC2C=CC(N)C2)C1.
What is the InChIKey of 4-[[(3,3-dimethylcyclopentyl)amino]methyl]cyclopent-2-en-1-amine?
The InChIKey is NHEKTLJSLNIJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-13(2)6-5-12(8-13)15-9-10-3-4-11(14)7-10/h3-4,10-12,15H,5-9,14H2,1-2H3.
What are the key properties of 4-[[(3,3-dimethylcyclopentyl)amino]methyl]cyclopent-2-en-1-amine?
4-[[(3,3-dimethylcyclopentyl)amino]methyl]cyclopent-2-en-1-amine has a molecular weight of 208.35 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3,3-dimethylcyclopentyl)amino]methyl]cyclopent-2-en-1-amine is sourced from PubChem (CID 114547597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).