(E)-N,N-diethylpent-3-en-2-amine

C9H19N — CID 13003598

IUPAC(E)-N,N-diethylpent-3-en-2-amine
SMILESC/C=C/C(C)N(CC)CC
InChIInChI=1S/C9H19N/c1-5-8-9(4)10(6-2)7-3/h5,8-9H,6-7H2,1-4H3/b8-5+
InChIKeyDUSQGAKKBXTQNC-VMPITWQZSA-N
MW141.26 g/mol
LogP2.29
Rot. Bonds4

About (E)-N,N-diethylpent-3-en-2-amine

(E)-N,N-diethylpent-3-en-2-amine (PubChem CID 13003598) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is (E)-N,N-diethylpent-3-en-2-amine.

Molecular Properties

Compound Name(E)-N,N-diethylpent-3-en-2-amine
PubChem CID13003598
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name(E)-N,N-diethylpent-3-en-2-amine
SMILESC/C=C/C(C)N(CC)CC
InChIInChI=1S/C9H19N/c1-5-8-9(4)10(6-2)7-3/h5,8-9H,6-7H2,1-4H3/b8-5+
InChIKeyDUSQGAKKBXTQNC-VMPITWQZSA-N
XLogP2.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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-2-amine?
The IUPAC name of (E)-N,N-diethylpent-3-en-2-amine (CID 13003598) is (E)-N,N-diethylpent-3-en-2-amine.
What is the SMILES notation for (E)-N,N-diethylpent-3-en-2-amine?
The canonical SMILES for (E)-N,N-diethylpent-3-en-2-amine is C/C=C/C(C)N(CC)CC.
What is the InChIKey of (E)-N,N-diethylpent-3-en-2-amine?
The InChIKey is DUSQGAKKBXTQNC-VMPITWQZSA-N. The full InChI is InChI=1S/C9H19N/c1-5-8-9(4)10(6-2)7-3/h5,8-9H,6-7H2,1-4H3/b8-5+.
What are the key properties of (E)-N,N-diethylpent-3-en-2-amine?
(E)-N,N-diethylpent-3-en-2-amine has a molecular weight of 141.26 g/mol, XLogP of 2.29, 4 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-2-amine is sourced from PubChem (CID 13003598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).