(E)-N,N-diethylnon-1-en-1-amine

C13H27N — CID 101269106

IUPAC(E)-N,N-diethylnon-1-en-1-amine
SMILESCCCCCCC/C=C/N(CC)CC
InChIInChI=1S/C13H27N/c1-4-7-8-9-10-11-12-13-14(5-2)6-3/h12-13H,4-11H2,1-3H3/b13-12+
InChIKeyKTTQBZRTNFAAGJ-OUKQBFOZSA-N
MW197.37 g/mol
LogP4.20
Rot. Bonds9

About (E)-N,N-diethylnon-1-en-1-amine

(E)-N,N-diethylnon-1-en-1-amine (PubChem CID 101269106) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is (E)-N,N-diethylnon-1-en-1-amine.

Molecular Properties

Compound Name(E)-N,N-diethylnon-1-en-1-amine
PubChem CID101269106
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name(E)-N,N-diethylnon-1-en-1-amine
SMILESCCCCCCC/C=C/N(CC)CC
InChIInChI=1S/C13H27N/c1-4-7-8-9-10-11-12-13-14(5-2)6-3/h12-13H,4-11H2,1-3H3/b13-12+
InChIKeyKTTQBZRTNFAAGJ-OUKQBFOZSA-N
XLogP4.20
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 ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N,N-diethylnon-1-en-1-amine?
The IUPAC name of (E)-N,N-diethylnon-1-en-1-amine (CID 101269106) is (E)-N,N-diethylnon-1-en-1-amine.
What is the SMILES notation for (E)-N,N-diethylnon-1-en-1-amine?
The canonical SMILES for (E)-N,N-diethylnon-1-en-1-amine is CCCCCCC/C=C/N(CC)CC.
What is the InChIKey of (E)-N,N-diethylnon-1-en-1-amine?
The InChIKey is KTTQBZRTNFAAGJ-OUKQBFOZSA-N. The full InChI is InChI=1S/C13H27N/c1-4-7-8-9-10-11-12-13-14(5-2)6-3/h12-13H,4-11H2,1-3H3/b13-12+.
What are the key properties of (E)-N,N-diethylnon-1-en-1-amine?
(E)-N,N-diethylnon-1-en-1-amine has a molecular weight of 197.37 g/mol, XLogP of 4.20, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-diethylnon-1-en-1-amine is sourced from PubChem (CID 101269106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).