(E)-N,N,7-trimethyloct-3-en-1-amine

C11H23N — CID 89190567

IUPAC(E)-N,N,7-trimethyloct-3-en-1-amine
SMILESCC(C)CC/C=C/CCN(C)C
InChIInChI=1S/C11H23N/c1-11(2)9-7-5-6-8-10-12(3)4/h5-6,11H,7-10H2,1-4H3/b6-5+
InChIKeyRTHKZPITRAEDQW-AATRIKPKSA-N
MW169.31 g/mol
LogP2.93
Rot. Bonds6

About (E)-N,N,7-trimethyloct-3-en-1-amine

(E)-N,N,7-trimethyloct-3-en-1-amine (PubChem CID 89190567) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is (E)-N,N,7-trimethyloct-3-en-1-amine.

Molecular Properties

Compound Name(E)-N,N,7-trimethyloct-3-en-1-amine
PubChem CID89190567
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name(E)-N,N,7-trimethyloct-3-en-1-amine
SMILESCC(C)CC/C=C/CCN(C)C
InChIInChI=1S/C11H23N/c1-11(2)9-7-5-6-8-10-12(3)4/h5-6,11H,7-10H2,1-4H3/b6-5+
InChIKeyRTHKZPITRAEDQW-AATRIKPKSA-N
XLogP2.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.93
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,7-trimethyloct-3-en-1-amine?
The IUPAC name of (E)-N,N,7-trimethyloct-3-en-1-amine (CID 89190567) is (E)-N,N,7-trimethyloct-3-en-1-amine.
What is the SMILES notation for (E)-N,N,7-trimethyloct-3-en-1-amine?
The canonical SMILES for (E)-N,N,7-trimethyloct-3-en-1-amine is CC(C)CC/C=C/CCN(C)C.
What is the InChIKey of (E)-N,N,7-trimethyloct-3-en-1-amine?
The InChIKey is RTHKZPITRAEDQW-AATRIKPKSA-N. The full InChI is InChI=1S/C11H23N/c1-11(2)9-7-5-6-8-10-12(3)4/h5-6,11H,7-10H2,1-4H3/b6-5+.
What are the key properties of (E)-N,N,7-trimethyloct-3-en-1-amine?
(E)-N,N,7-trimethyloct-3-en-1-amine has a molecular weight of 169.31 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N,7-trimethyloct-3-en-1-amine is sourced from PubChem (CID 89190567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).