(4E)-N-methyl-N-propylocta-4,7-dien-4-amine

C12H23N — CID 87090816

IUPAC(4E)-N-methyl-N-propylocta-4,7-dien-4-amine
SMILESC=CC/C=C(\CCC)N(C)CCC
InChIInChI=1S/C12H23N/c1-5-8-10-12(9-6-2)13(4)11-7-3/h5,10H,1,6-9,11H2,2-4H3/b12-10+
InChIKeyUVISMMGWRVMDMS-ZRDIBKRKSA-N
MW181.32 g/mol
LogP3.59
Rot. Bonds7

About (4E)-N-methyl-N-propylocta-4,7-dien-4-amine

(4E)-N-methyl-N-propylocta-4,7-dien-4-amine (PubChem CID 87090816) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is (4E)-N-methyl-N-propylocta-4,7-dien-4-amine.

Molecular Properties

Compound Name(4E)-N-methyl-N-propylocta-4,7-dien-4-amine
PubChem CID87090816
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name(4E)-N-methyl-N-propylocta-4,7-dien-4-amine
SMILESC=CC/C=C(\CCC)N(C)CCC
InChIInChI=1S/C12H23N/c1-5-8-10-12(9-6-2)13(4)11-7-3/h5,10H,1,6-9,11H2,2-4H3/b12-10+
InChIKeyUVISMMGWRVMDMS-ZRDIBKRKSA-N
XLogP3.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.59
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 (4E)-N-methyl-N-propylocta-4,7-dien-4-amine?
The IUPAC name of (4E)-N-methyl-N-propylocta-4,7-dien-4-amine (CID 87090816) is (4E)-N-methyl-N-propylocta-4,7-dien-4-amine.
What is the SMILES notation for (4E)-N-methyl-N-propylocta-4,7-dien-4-amine?
The canonical SMILES for (4E)-N-methyl-N-propylocta-4,7-dien-4-amine is C=CC/C=C(\CCC)N(C)CCC.
What is the InChIKey of (4E)-N-methyl-N-propylocta-4,7-dien-4-amine?
The InChIKey is UVISMMGWRVMDMS-ZRDIBKRKSA-N. The full InChI is InChI=1S/C12H23N/c1-5-8-10-12(9-6-2)13(4)11-7-3/h5,10H,1,6-9,11H2,2-4H3/b12-10+.
What are the key properties of (4E)-N-methyl-N-propylocta-4,7-dien-4-amine?
(4E)-N-methyl-N-propylocta-4,7-dien-4-amine has a molecular weight of 181.32 g/mol, XLogP of 3.59, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-N-methyl-N-propylocta-4,7-dien-4-amine is sourced from PubChem (CID 87090816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).