(1E)-N,N,4-trimethylpenta-1,3-dien-1-amine

C8H15N — CID 14611150

IUPAC(1E)-N,N,4-trimethylpenta-1,3-dien-1-amine
SMILESCC(C)=C/C=C/N(C)C
InChIInChI=1S/C8H15N/c1-8(2)6-5-7-9(3)4/h5-7H,1-4H3/b7-5+
InChIKeyAZEDQMIQBQTMOQ-FNORWQNLSA-N
MW125.21 g/mol
LogP2.03
Rot. Bonds2

About (1E)-N,N,4-trimethylpenta-1,3-dien-1-amine

(1E)-N,N,4-trimethylpenta-1,3-dien-1-amine (PubChem CID 14611150) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is (1E)-N,N,4-trimethylpenta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E)-N,N,4-trimethylpenta-1,3-dien-1-amine
PubChem CID14611150
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name(1E)-N,N,4-trimethylpenta-1,3-dien-1-amine
SMILESCC(C)=C/C=C/N(C)C
InChIInChI=1S/C8H15N/c1-8(2)6-5-7-9(3)4/h5-7H,1-4H3/b7-5+
InChIKeyAZEDQMIQBQTMOQ-FNORWQNLSA-N
XLogP2.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E)-N,N,4-trimethylpenta-1,3-dien-1-amine?
The IUPAC name of (1E)-N,N,4-trimethylpenta-1,3-dien-1-amine (CID 14611150) is (1E)-N,N,4-trimethylpenta-1,3-dien-1-amine.
What is the SMILES notation for (1E)-N,N,4-trimethylpenta-1,3-dien-1-amine?
The canonical SMILES for (1E)-N,N,4-trimethylpenta-1,3-dien-1-amine is CC(C)=C/C=C/N(C)C.
What is the InChIKey of (1E)-N,N,4-trimethylpenta-1,3-dien-1-amine?
The InChIKey is AZEDQMIQBQTMOQ-FNORWQNLSA-N. The full InChI is InChI=1S/C8H15N/c1-8(2)6-5-7-9(3)4/h5-7H,1-4H3/b7-5+.
What are the key properties of (1E)-N,N,4-trimethylpenta-1,3-dien-1-amine?
(1E)-N,N,4-trimethylpenta-1,3-dien-1-amine has a molecular weight of 125.21 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-N,N,4-trimethylpenta-1,3-dien-1-amine is sourced from PubChem (CID 14611150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).