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

C9H18N2 — CID 142029978

IUPAC(E)-N,N,3-trimethyl-1-methyliminopent-2-en-2-amine
SMILESCC/C(C)=C(\C=N\C)N(C)C
InChIInChI=1S/C9H18N2/c1-6-8(2)9(7-10-3)11(4)5/h7H,6H2,1-5H3/b9-8+,10-7+
InChIKeyIUTCICWTNYPCBH-DGLUDJRXSA-N
MW154.26 g/mol
LogP1.93
Rot. Bonds3

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

(E)-N,N,3-trimethyl-1-methyliminopent-2-en-2-amine (PubChem CID 142029978) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (E)-N,N,3-trimethyl-1-methyliminopent-2-en-2-amine.

Molecular Properties

Compound Name(E)-N,N,3-trimethyl-1-methyliminopent-2-en-2-amine
PubChem CID142029978
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name(E)-N,N,3-trimethyl-1-methyliminopent-2-en-2-amine
SMILESCC/C(C)=C(\C=N\C)N(C)C
InChIInChI=1S/C9H18N2/c1-6-8(2)9(7-10-3)11(4)5/h7H,6H2,1-5H3/b9-8+,10-7+
InChIKeyIUTCICWTNYPCBH-DGLUDJRXSA-N
XLogP1.93
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (E)-N,N,3-trimethyl-1-methyliminopent-2-en-2-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)-N,N,3-trimethyl-1-methyliminopent-2-en-2-amine?
The IUPAC name of (E)-N,N,3-trimethyl-1-methyliminopent-2-en-2-amine (CID 142029978) is (E)-N,N,3-trimethyl-1-methyliminopent-2-en-2-amine.
What is the SMILES notation for (E)-N,N,3-trimethyl-1-methyliminopent-2-en-2-amine?
The canonical SMILES for (E)-N,N,3-trimethyl-1-methyliminopent-2-en-2-amine is CC/C(C)=C(\C=N\C)N(C)C.
What is the InChIKey of (E)-N,N,3-trimethyl-1-methyliminopent-2-en-2-amine?
The InChIKey is IUTCICWTNYPCBH-DGLUDJRXSA-N. The full InChI is InChI=1S/C9H18N2/c1-6-8(2)9(7-10-3)11(4)5/h7H,6H2,1-5H3/b9-8+,10-7+.
What are the key properties of (E)-N,N,3-trimethyl-1-methyliminopent-2-en-2-amine?
(E)-N,N,3-trimethyl-1-methyliminopent-2-en-2-amine has a molecular weight of 154.26 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N,3-trimethyl-1-methyliminopent-2-en-2-amine is sourced from PubChem (CID 142029978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).