(E)-2,3,3-trimethyl-N-pent-1-en-2-ylbut-1-en-1-amine

C12H23N — CID 129167754

IUPAC(E)-2,3,3-trimethyl-N-pent-1-en-2-ylbut-1-en-1-amine
SMILESC=C(CCC)N/C=C(\C)C(C)(C)C
InChIInChI=1S/C12H23N/c1-7-8-11(3)13-9-10(2)12(4,5)6/h9,13H,3,7-8H2,1-2,4-6H3/b10-9+
InChIKeyWSERDJWUCVNDJE-MDZDMXLPSA-N
MW181.32 g/mol
LogP3.84
Rot. Bonds4

About (E)-2,3,3-trimethyl-N-pent-1-en-2-ylbut-1-en-1-amine

(E)-2,3,3-trimethyl-N-pent-1-en-2-ylbut-1-en-1-amine (PubChem CID 129167754) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is (E)-2,3,3-trimethyl-N-pent-1-en-2-ylbut-1-en-1-amine.

Molecular Properties

Compound Name(E)-2,3,3-trimethyl-N-pent-1-en-2-ylbut-1-en-1-amine
PubChem CID129167754
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name(E)-2,3,3-trimethyl-N-pent-1-en-2-ylbut-1-en-1-amine
SMILESC=C(CCC)N/C=C(\C)C(C)(C)C
InChIInChI=1S/C12H23N/c1-7-8-11(3)13-9-10(2)12(4,5)6/h9,13H,3,7-8H2,1-2,4-6H3/b10-9+
InChIKeyWSERDJWUCVNDJE-MDZDMXLPSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (E)-2,3,3-trimethyl-N-pent-1-en-2-ylbut-1-en-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 (E)-2,3,3-trimethyl-N-pent-1-en-2-ylbut-1-en-1-amine?
The IUPAC name of (E)-2,3,3-trimethyl-N-pent-1-en-2-ylbut-1-en-1-amine (CID 129167754) is (E)-2,3,3-trimethyl-N-pent-1-en-2-ylbut-1-en-1-amine.
What is the SMILES notation for (E)-2,3,3-trimethyl-N-pent-1-en-2-ylbut-1-en-1-amine?
The canonical SMILES for (E)-2,3,3-trimethyl-N-pent-1-en-2-ylbut-1-en-1-amine is C=C(CCC)N/C=C(\C)C(C)(C)C.
What is the InChIKey of (E)-2,3,3-trimethyl-N-pent-1-en-2-ylbut-1-en-1-amine?
The InChIKey is WSERDJWUCVNDJE-MDZDMXLPSA-N. The full InChI is InChI=1S/C12H23N/c1-7-8-11(3)13-9-10(2)12(4,5)6/h9,13H,3,7-8H2,1-2,4-6H3/b10-9+.
What are the key properties of (E)-2,3,3-trimethyl-N-pent-1-en-2-ylbut-1-en-1-amine?
(E)-2,3,3-trimethyl-N-pent-1-en-2-ylbut-1-en-1-amine has a molecular weight of 181.32 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,3,3-trimethyl-N-pent-1-en-2-ylbut-1-en-1-amine is sourced from PubChem (CID 129167754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).