N-[(E)-3-cyclopentylprop-2-enyl]hexan-1-amine

C14H27N — CID 19893704

IUPACN-[(E)-3-cyclopentylprop-2-enyl]hexan-1-amine
SMILESCCCCCCNC/C=C/C1CCCC1
InChIInChI=1S/C14H27N/c1-2-3-4-7-12-15-13-8-11-14-9-5-6-10-14/h8,11,14-15H,2-7,9-10,12-13H2,1H3/b11-8+
InChIKeyQJKJSPCVQHBVSP-DHZHZOJOSA-N
MW209.38 g/mol
LogP3.90
Rot. Bonds8

About N-[(E)-3-cyclopentylprop-2-enyl]hexan-1-amine

N-[(E)-3-cyclopentylprop-2-enyl]hexan-1-amine (PubChem CID 19893704) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is N-[(E)-3-cyclopentylprop-2-enyl]hexan-1-amine.

Molecular Properties

Compound NameN-[(E)-3-cyclopentylprop-2-enyl]hexan-1-amine
PubChem CID19893704
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC NameN-[(E)-3-cyclopentylprop-2-enyl]hexan-1-amine
SMILESCCCCCCNC/C=C/C1CCCC1
InChIInChI=1S/C14H27N/c1-2-3-4-7-12-15-13-8-11-14-9-5-6-10-14/h8,11,14-15H,2-7,9-10,12-13H2,1H3/b11-8+
InChIKeyQJKJSPCVQHBVSP-DHZHZOJOSA-N
XLogP3.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.90
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-cyclopentylprop-2-enyl]hexan-1-amine?
The IUPAC name of N-[(E)-3-cyclopentylprop-2-enyl]hexan-1-amine (CID 19893704) is N-[(E)-3-cyclopentylprop-2-enyl]hexan-1-amine.
What is the SMILES notation for N-[(E)-3-cyclopentylprop-2-enyl]hexan-1-amine?
The canonical SMILES for N-[(E)-3-cyclopentylprop-2-enyl]hexan-1-amine is CCCCCCNC/C=C/C1CCCC1.
What is the InChIKey of N-[(E)-3-cyclopentylprop-2-enyl]hexan-1-amine?
The InChIKey is QJKJSPCVQHBVSP-DHZHZOJOSA-N. The full InChI is InChI=1S/C14H27N/c1-2-3-4-7-12-15-13-8-11-14-9-5-6-10-14/h8,11,14-15H,2-7,9-10,12-13H2,1H3/b11-8+.
What are the key properties of N-[(E)-3-cyclopentylprop-2-enyl]hexan-1-amine?
N-[(E)-3-cyclopentylprop-2-enyl]hexan-1-amine has a molecular weight of 209.38 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-cyclopentylprop-2-enyl]hexan-1-amine is sourced from PubChem (CID 19893704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).