(E)-N,N-dibutylpent-3-en-1-amine

C13H27N — CID 14226608

IUPAC(E)-N,N-dibutylpent-3-en-1-amine
SMILESC/C=C/CCN(CCCC)CCCC
InChIInChI=1S/C13H27N/c1-4-7-10-13-14(11-8-5-2)12-9-6-3/h4,7H,5-6,8-13H2,1-3H3/b7-4+
InChIKeyFGHSOROPSDXVSL-QPJJXVBHSA-N
MW197.37 g/mol
LogP3.85
Rot. Bonds9

About (E)-N,N-dibutylpent-3-en-1-amine

(E)-N,N-dibutylpent-3-en-1-amine (PubChem CID 14226608) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is (E)-N,N-dibutylpent-3-en-1-amine.

Molecular Properties

Compound Name(E)-N,N-dibutylpent-3-en-1-amine
PubChem CID14226608
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name(E)-N,N-dibutylpent-3-en-1-amine
SMILESC/C=C/CCN(CCCC)CCCC
InChIInChI=1S/C13H27N/c1-4-7-10-13-14(11-8-5-2)12-9-6-3/h4,7H,5-6,8-13H2,1-3H3/b7-4+
InChIKeyFGHSOROPSDXVSL-QPJJXVBHSA-N
XLogP3.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N,N-dibutylpent-3-en-1-amine?
The IUPAC name of (E)-N,N-dibutylpent-3-en-1-amine (CID 14226608) is (E)-N,N-dibutylpent-3-en-1-amine.
What is the SMILES notation for (E)-N,N-dibutylpent-3-en-1-amine?
The canonical SMILES for (E)-N,N-dibutylpent-3-en-1-amine is C/C=C/CCN(CCCC)CCCC.
What is the InChIKey of (E)-N,N-dibutylpent-3-en-1-amine?
The InChIKey is FGHSOROPSDXVSL-QPJJXVBHSA-N. The full InChI is InChI=1S/C13H27N/c1-4-7-10-13-14(11-8-5-2)12-9-6-3/h4,7H,5-6,8-13H2,1-3H3/b7-4+.
What are the key properties of (E)-N,N-dibutylpent-3-en-1-amine?
(E)-N,N-dibutylpent-3-en-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.85, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-dibutylpent-3-en-1-amine is sourced from PubChem (CID 14226608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).