3-(2-methylprop-2-enyl)-N-propylcyclopentan-1-amine

C12H23N — CID 79186208

IUPAC3-(2-methylprop-2-enyl)-N-propylcyclopentan-1-amine
SMILESC=C(C)CC1CCC(NCCC)C1
InChIInChI=1S/C12H23N/c1-4-7-13-12-6-5-11(9-12)8-10(2)3/h11-13H,2,4-9H2,1,3H3
InChIKeyLMEGPYOSXGFETJ-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.12
Rot. Bonds5

About 3-(2-methylprop-2-enyl)-N-propylcyclopentan-1-amine

3-(2-methylprop-2-enyl)-N-propylcyclopentan-1-amine (PubChem CID 79186208) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 3-(2-methylprop-2-enyl)-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(2-methylprop-2-enyl)-N-propylcyclopentan-1-amine
PubChem CID79186208
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name3-(2-methylprop-2-enyl)-N-propylcyclopentan-1-amine
SMILESC=C(C)CC1CCC(NCCC)C1
InChIInChI=1S/C12H23N/c1-4-7-13-12-6-5-11(9-12)8-10(2)3/h11-13H,2,4-9H2,1,3H3
InChIKeyLMEGPYOSXGFETJ-UHFFFAOYSA-N
XLogP3.12
TPSA12.03 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 ≤ 53.12
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

2-[3-(propylamino)cyclopentyl]acetic acid
CID 123558045
3-methyl-N-(3-methylbut-3-enyl)cyclopentan-1-amine
CID 114545737
3-(propan-2-yloxymethyl)-N-propylcyclopentan-1-amine
CID 79569853
1-N-propylcyclohexane-1,3-diamine
CID 22026573
1-N,2-N,4-N-tripropylcyclohexane-1,2,4-triamine
CID 69425142
N-(2-chloroprop-2-enyl)-3-ethylcyclopentan-1-amine
CID 115702589
3-(2-tert-butylsulfonylethyl)-N-propylcyclopentan-1-amine
CID 106732258
3-[(4-fluorophenyl)methyl]-N-propylcyclopentan-1-amine
CID 64503574
3-ethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexan-1-amine
CID 115699234
3-N-cyclopropyl-3-N-methyl-1-N-propylcyclopentane-1,3-diamine
CID 79643528
3-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N-propylcyclopentan-1-amine
CID 102901303
1-(cyclopropylmethyl)-5-ethyl-N-propylpiperidin-3-amine
CID 83991199

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylprop-2-enyl)-N-propylcyclopentan-1-amine?
The IUPAC name of 3-(2-methylprop-2-enyl)-N-propylcyclopentan-1-amine (CID 79186208) is 3-(2-methylprop-2-enyl)-N-propylcyclopentan-1-amine.
What is the SMILES notation for 3-(2-methylprop-2-enyl)-N-propylcyclopentan-1-amine?
The canonical SMILES for 3-(2-methylprop-2-enyl)-N-propylcyclopentan-1-amine is C=C(C)CC1CCC(NCCC)C1.
What is the InChIKey of 3-(2-methylprop-2-enyl)-N-propylcyclopentan-1-amine?
The InChIKey is LMEGPYOSXGFETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-4-7-13-12-6-5-11(9-12)8-10(2)3/h11-13H,2,4-9H2,1,3H3.
What are the key properties of 3-(2-methylprop-2-enyl)-N-propylcyclopentan-1-amine?
3-(2-methylprop-2-enyl)-N-propylcyclopentan-1-amine has a molecular weight of 181.32 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylprop-2-enyl)-N-propylcyclopentan-1-amine is sourced from PubChem (CID 79186208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).