N-[[2-(3-methylbut-3-enyl)cyclopentyl]methyl]propan-1-amine

C14H27N — CID 114477711

IUPACN-[[2-(3-methylbut-3-enyl)cyclopentyl]methyl]propan-1-amine
SMILESC=C(C)CCC1CCCC1CNCCC
InChIInChI=1S/C14H27N/c1-4-10-15-11-14-7-5-6-13(14)9-8-12(2)3/h13-15H,2,4-11H2,1,3H3
InChIKeyXRFBMKMDPHDUFO-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.76
Rot. Bonds7

About N-[[2-(3-methylbut-3-enyl)cyclopentyl]methyl]propan-1-amine

N-[[2-(3-methylbut-3-enyl)cyclopentyl]methyl]propan-1-amine (PubChem CID 114477711) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is N-[[2-(3-methylbut-3-enyl)cyclopentyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(3-methylbut-3-enyl)cyclopentyl]methyl]propan-1-amine
PubChem CID114477711
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC NameN-[[2-(3-methylbut-3-enyl)cyclopentyl]methyl]propan-1-amine
SMILESC=C(C)CCC1CCCC1CNCCC
InChIInChI=1S/C14H27N/c1-4-10-15-11-14-7-5-6-13(14)9-8-12(2)3/h13-15H,2,4-11H2,1,3H3
InChIKeyXRFBMKMDPHDUFO-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.76
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'}

Analyze N-[[2-(3-methylbut-3-enyl)cyclopentyl]methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(1R)-4-methylcyclohex-3-en-1-yl]-N-propylbutan-1-amine
CID 24850676
N-butyl-3-[(1R)-4-methylcyclohex-3-en-1-yl]butan-1-amine
CID 135070193
N,2-diethyldec-9-en-1-amine
CID 17825129
2-(3-methylbut-1-en-2-yl)-N-propan-2-ylcyclopentan-1-amine
CID 58718140
3-(3-methylbut-1-en-2-yl)-N-propan-2-ylcyclopentan-1-amine
CID 58718142
3-(2-methylpropyl)-4-propan-2-yl-2,3-dihydro-1H-pyrrole
CID 59142831
2-methyl-5-methylidene-N-propylheptan-1-amine
CID 66038086
3-Pentyl-4-prop-2-enylpyrrolidine
CID 67925914
4-(5-ethyl-3,6-dimethyloctan-4-yl)-2,3-dihydro-1H-pyrrole
CID 68330264
N,2,3-trimethyl-5-methylideneheptan-1-amine
CID 81016533
5-ethyl-2,9,10-trimethyl-8-methylidene-N-propan-2-ylundecan-4-amine
CID 90878934
N-methyl-7-methylidene-5-(2-methylpropyl)decan-1-amine
CID 91167158

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methylbut-3-enyl)cyclopentyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(3-methylbut-3-enyl)cyclopentyl]methyl]propan-1-amine (CID 114477711) is N-[[2-(3-methylbut-3-enyl)cyclopentyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(3-methylbut-3-enyl)cyclopentyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(3-methylbut-3-enyl)cyclopentyl]methyl]propan-1-amine is C=C(C)CCC1CCCC1CNCCC.
What is the InChIKey of N-[[2-(3-methylbut-3-enyl)cyclopentyl]methyl]propan-1-amine?
The InChIKey is XRFBMKMDPHDUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-4-10-15-11-14-7-5-6-13(14)9-8-12(2)3/h13-15H,2,4-11H2,1,3H3.
What are the key properties of N-[[2-(3-methylbut-3-enyl)cyclopentyl]methyl]propan-1-amine?
N-[[2-(3-methylbut-3-enyl)cyclopentyl]methyl]propan-1-amine has a molecular weight of 209.38 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methylbut-3-enyl)cyclopentyl]methyl]propan-1-amine is sourced from PubChem (CID 114477711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).