1-cyclopentyl-4-methylidenehexan-2-amine

C12H23N — CID 105006054

IUPAC1-cyclopentyl-4-methylidenehexan-2-amine
SMILESC=C(CC)CC(N)CC1CCCC1
InChIInChI=1S/C12H23N/c1-3-10(2)8-12(13)9-11-6-4-5-7-11/h11-12H,2-9,13H2,1H3
InChIKeyDRVIWWULKLAJAH-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.25
Rot. Bonds5

About 1-cyclopentyl-4-methylidenehexan-2-amine

1-cyclopentyl-4-methylidenehexan-2-amine (PubChem CID 105006054) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 1-cyclopentyl-4-methylidenehexan-2-amine.

Molecular Properties

Compound Name1-cyclopentyl-4-methylidenehexan-2-amine
PubChem CID105006054
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name1-cyclopentyl-4-methylidenehexan-2-amine
SMILESC=C(CC)CC(N)CC1CCCC1
InChIInChI=1S/C12H23N/c1-3-10(2)8-12(13)9-11-6-4-5-7-11/h11-12H,2-9,13H2,1H3
InChIKeyDRVIWWULKLAJAH-UHFFFAOYSA-N
XLogP3.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.25
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-cyclobutyl-4-methylpent-4-en-2-amine
CID 89233706
(2S)-1-cyclopentylbutan-2-amine
CID 58736664
1,3-dicyclopentylpropan-2-amine
CID 58122660
(1-cyclohexyl-3-methylidenepentyl)hydrazine
CID 105201935
(3S)-3-amino-4-cyclopentylbutanoic acid
CID 55254497
1-cyclopentyl-3-methylidenepentan-1-ol
CID 66045289
5-methylidene-1-(oxan-2-yl)heptan-3-amine
CID 105005878
6-methylideneoct-1-en-4-amine
CID 116660413
1-cyclopentyl-N-methyl-3-methylidenepentan-1-amine
CID 66036840
1-(3-ethylcyclopentyl)-3-methylidenepentan-1-amine
CID 66037578
(3S)-3-amino-4-cyclobutylbutanoic acid
CID 66644622
1-cyclohexyl-4-methylpent-4-en-2-ol
CID 115816975

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-methylidenehexan-2-amine?
The IUPAC name of 1-cyclopentyl-4-methylidenehexan-2-amine (CID 105006054) is 1-cyclopentyl-4-methylidenehexan-2-amine.
What is the SMILES notation for 1-cyclopentyl-4-methylidenehexan-2-amine?
The canonical SMILES for 1-cyclopentyl-4-methylidenehexan-2-amine is C=C(CC)CC(N)CC1CCCC1.
What is the InChIKey of 1-cyclopentyl-4-methylidenehexan-2-amine?
The InChIKey is DRVIWWULKLAJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-3-10(2)8-12(13)9-11-6-4-5-7-11/h11-12H,2-9,13H2,1H3.
What are the key properties of 1-cyclopentyl-4-methylidenehexan-2-amine?
1-cyclopentyl-4-methylidenehexan-2-amine has a molecular weight of 181.32 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-methylidenehexan-2-amine is sourced from PubChem (CID 105006054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).