N,N,2-trimethylpenta-2,4-dien-1-amine

C8H15N — CID 85238651

IUPACN,N,2-trimethylpenta-2,4-dien-1-amine
SMILESC=CC=C(C)CN(C)C
InChIInChI=1S/C8H15N/c1-5-6-8(2)7-9(3)4/h5-6H,1,7H2,2-4H3
InChIKeyOERJXLILDYTNKO-UHFFFAOYSA-N
MW125.21 g/mol
LogP1.68
Rot. Bonds3

About N,N,2-trimethylpenta-2,4-dien-1-amine

N,N,2-trimethylpenta-2,4-dien-1-amine (PubChem CID 85238651) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is N,N,2-trimethylpenta-2,4-dien-1-amine.

Molecular Properties

Compound NameN,N,2-trimethylpenta-2,4-dien-1-amine
PubChem CID85238651
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC NameN,N,2-trimethylpenta-2,4-dien-1-amine
SMILESC=CC=C(C)CN(C)C
InChIInChI=1S/C8H15N/c1-5-6-8(2)7-9(3)4/h5-6H,1,7H2,2-4H3
InChIKeyOERJXLILDYTNKO-UHFFFAOYSA-N
XLogP1.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,N,2-trimethylpenta-2,4-dien-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethylpenta-2,4-dien-1-amine?
The IUPAC name of N,N,2-trimethylpenta-2,4-dien-1-amine (CID 85238651) is N,N,2-trimethylpenta-2,4-dien-1-amine.
What is the SMILES notation for N,N,2-trimethylpenta-2,4-dien-1-amine?
The canonical SMILES for N,N,2-trimethylpenta-2,4-dien-1-amine is C=CC=C(C)CN(C)C.
What is the InChIKey of N,N,2-trimethylpenta-2,4-dien-1-amine?
The InChIKey is OERJXLILDYTNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-5-6-8(2)7-9(3)4/h5-6H,1,7H2,2-4H3.
What are the key properties of N,N,2-trimethylpenta-2,4-dien-1-amine?
N,N,2-trimethylpenta-2,4-dien-1-amine has a molecular weight of 125.21 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethylpenta-2,4-dien-1-amine is sourced from PubChem (CID 85238651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).