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

C10H21N — CID 5372576

IUPAC(E)-N,N-dimethyloct-3-en-2-amine
SMILESCCCC/C=C/C(C)N(C)C
InChIInChI=1S/C10H21N/c1-5-6-7-8-9-10(2)11(3)4/h8-10H,5-7H2,1-4H3/b9-8+
InChIKeyQEFBPYWOPARHMF-CMDGGOBGSA-N
MW155.28 g/mol
LogP2.68
Rot. Bonds5

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

(E)-N,N-dimethyloct-3-en-2-amine (PubChem CID 5372576) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is (E)-N,N-dimethyloct-3-en-2-amine.

Molecular Properties

Compound Name(E)-N,N-dimethyloct-3-en-2-amine
PubChem CID5372576
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name(E)-N,N-dimethyloct-3-en-2-amine
SMILESCCCC/C=C/C(C)N(C)C
InChIInChI=1S/C10H21N/c1-5-6-7-8-9-10(2)11(3)4/h8-10H,5-7H2,1-4H3/b9-8+
InChIKeyQEFBPYWOPARHMF-CMDGGOBGSA-N
XLogP2.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.68
H-Bond Donors ≤ 50
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 (E)-N,N-dimethyloct-3-en-2-amine?
The IUPAC name of (E)-N,N-dimethyloct-3-en-2-amine (CID 5372576) is (E)-N,N-dimethyloct-3-en-2-amine.
What is the SMILES notation for (E)-N,N-dimethyloct-3-en-2-amine?
The canonical SMILES for (E)-N,N-dimethyloct-3-en-2-amine is CCCC/C=C/C(C)N(C)C.
What is the InChIKey of (E)-N,N-dimethyloct-3-en-2-amine?
The InChIKey is QEFBPYWOPARHMF-CMDGGOBGSA-N. The full InChI is InChI=1S/C10H21N/c1-5-6-7-8-9-10(2)11(3)4/h8-10H,5-7H2,1-4H3/b9-8+.
What are the key properties of (E)-N,N-dimethyloct-3-en-2-amine?
(E)-N,N-dimethyloct-3-en-2-amine has a molecular weight of 155.28 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-dimethyloct-3-en-2-amine is sourced from PubChem (CID 5372576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).