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

C9H19N — CID 12610269

IUPAC(E)-N,N-diethylpent-3-en-1-amine
SMILESC/C=C/CCN(CC)CC
InChIInChI=1S/C9H19N/c1-4-7-8-9-10(5-2)6-3/h4,7H,5-6,8-9H2,1-3H3/b7-4+
InChIKeyJNDPKFOCEMQVEV-QPJJXVBHSA-N
MW141.26 g/mol
LogP2.29
Rot. Bonds5

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

(E)-N,N-diethylpent-3-en-1-amine (PubChem CID 12610269) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is (E)-N,N-diethylpent-3-en-1-amine.

Molecular Properties

Compound Name(E)-N,N-diethylpent-3-en-1-amine
PubChem CID12610269
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name(E)-N,N-diethylpent-3-en-1-amine
SMILESC/C=C/CCN(CC)CC
InChIInChI=1S/C9H19N/c1-4-7-8-9-10(5-2)6-3/h4,7H,5-6,8-9H2,1-3H3/b7-4+
InChIKeyJNDPKFOCEMQVEV-QPJJXVBHSA-N
XLogP2.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.29
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-diethylpent-3-en-1-amine?
The IUPAC name of (E)-N,N-diethylpent-3-en-1-amine (CID 12610269) is (E)-N,N-diethylpent-3-en-1-amine.
What is the SMILES notation for (E)-N,N-diethylpent-3-en-1-amine?
The canonical SMILES for (E)-N,N-diethylpent-3-en-1-amine is C/C=C/CCN(CC)CC.
What is the InChIKey of (E)-N,N-diethylpent-3-en-1-amine?
The InChIKey is JNDPKFOCEMQVEV-QPJJXVBHSA-N. The full InChI is InChI=1S/C9H19N/c1-4-7-8-9-10(5-2)6-3/h4,7H,5-6,8-9H2,1-3H3/b7-4+.
What are the key properties of (E)-N,N-diethylpent-3-en-1-amine?
(E)-N,N-diethylpent-3-en-1-amine has a molecular weight of 141.26 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-diethylpent-3-en-1-amine is sourced from PubChem (CID 12610269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).