N-[[2-(2-methylprop-2-enyl)cyclopentyl]methyl]propan-1-amine

C13H25N — CID 81032712

IUPACN-[[2-(2-methylprop-2-enyl)cyclopentyl]methyl]propan-1-amine
SMILESC=C(C)CC1CCCC1CNCCC
InChIInChI=1S/C13H25N/c1-4-8-14-10-13-7-5-6-12(13)9-11(2)3/h12-14H,2,4-10H2,1,3H3
InChIKeyPSDFJILWFFCBPP-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.37
Rot. Bonds6

About N-[[2-(2-methylprop-2-enyl)cyclopentyl]methyl]propan-1-amine

N-[[2-(2-methylprop-2-enyl)cyclopentyl]methyl]propan-1-amine (PubChem CID 81032712) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is N-[[2-(2-methylprop-2-enyl)cyclopentyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(2-methylprop-2-enyl)cyclopentyl]methyl]propan-1-amine
PubChem CID81032712
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC NameN-[[2-(2-methylprop-2-enyl)cyclopentyl]methyl]propan-1-amine
SMILESC=C(C)CC1CCCC1CNCCC
InChIInChI=1S/C13H25N/c1-4-8-14-10-13-7-5-6-12(13)9-11(2)3/h12-14H,2,4-10H2,1,3H3
InChIKeyPSDFJILWFFCBPP-UHFFFAOYSA-N
XLogP3.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(3-methylbut-3-enyl)cyclohexyl]methyl]propan-1-amine
CID 114477721
N-[(2-prop-2-enylcyclohexyl)methyl]propan-1-amine
CID 81027769
N-[(2-decylcyclopentyl)methyl]propan-1-amine
CID 81035001
N-[(2-cyclopropylcyclopentyl)methyl]propan-1-amine
CID 81033857
N-[(2-butylcyclohexyl)methyl]propan-1-amine
CID 81028150
N-[[(1R,2S)-2-methylcyclopropyl]methyl]propan-1-amine
CID 93261342
N-[[2-(3-methylbut-3-enyl)-4-propylcyclohexyl]methyl]propan-1-amine
CID 114477761
2-methyl-N-[[2-(2-methylprop-2-enyl)cyclobutyl]methyl]propan-1-amine
CID 81021977
[2-[(2-propoxyethylamino)methyl]cyclopentyl]methanol
CID 106452162
N-[(2-nonylcyclohexyl)methyl]propan-1-amine
CID 81028144
N-[[2-(3-methylbut-3-enyl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine
CID 114477770
N-[(2-pent-4-enylcyclohexyl)methyl]propan-1-amine
CID 81027900

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methylprop-2-enyl)cyclopentyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(2-methylprop-2-enyl)cyclopentyl]methyl]propan-1-amine (CID 81032712) is N-[[2-(2-methylprop-2-enyl)cyclopentyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(2-methylprop-2-enyl)cyclopentyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(2-methylprop-2-enyl)cyclopentyl]methyl]propan-1-amine is C=C(C)CC1CCCC1CNCCC.
What is the InChIKey of N-[[2-(2-methylprop-2-enyl)cyclopentyl]methyl]propan-1-amine?
The InChIKey is PSDFJILWFFCBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-4-8-14-10-13-7-5-6-12(13)9-11(2)3/h12-14H,2,4-10H2,1,3H3.
What are the key properties of N-[[2-(2-methylprop-2-enyl)cyclopentyl]methyl]propan-1-amine?
N-[[2-(2-methylprop-2-enyl)cyclopentyl]methyl]propan-1-amine has a molecular weight of 195.35 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methylprop-2-enyl)cyclopentyl]methyl]propan-1-amine is sourced from PubChem (CID 81032712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).