N,N,2-trimethyl-1-[(2E)-3-methylimino-2-prop-2-enylidenepyrrol-1-yl]propan-2-amine

C14H23N3 — CID 162389292

IUPACN,N,2-trimethyl-1-[(2E)-3-methylimino-2-prop-2-enylidenepyrrol-1-yl]propan-2-amine
SMILESC=C/C=C1C(=N\C)\C=CN\1CC(C)(C)N(C)C
InChIInChI=1S/C14H23N3/c1-7-8-13-12(15-4)9-10-17(13)11-14(2,3)16(5)6/h7-10H,1,11H2,2-6H3/b13-8+,15-12+
InChIKeyYSEHQRIXLPSEPA-MKRNSSSCSA-N
MW233.36 g/mol
LogP2.30
Rot. Bonds4

About N,N,2-trimethyl-1-[(2E)-3-methylimino-2-prop-2-enylidenepyrrol-1-yl]propan-2-amine

N,N,2-trimethyl-1-[(2E)-3-methylimino-2-prop-2-enylidenepyrrol-1-yl]propan-2-amine (PubChem CID 162389292) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is N,N,2-trimethyl-1-[(2E)-3-methylimino-2-prop-2-enylidenepyrrol-1-yl]propan-2-amine.

Molecular Properties

Compound NameN,N,2-trimethyl-1-[(2E)-3-methylimino-2-prop-2-enylidenepyrrol-1-yl]propan-2-amine
PubChem CID162389292
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC NameN,N,2-trimethyl-1-[(2E)-3-methylimino-2-prop-2-enylidenepyrrol-1-yl]propan-2-amine
SMILESC=C/C=C1C(=N\C)\C=CN\1CC(C)(C)N(C)C
InChIInChI=1S/C14H23N3/c1-7-8-13-12(15-4)9-10-17(13)11-14(2,3)16(5)6/h7-10H,1,11H2,2-6H3/b13-8+,15-12+
InChIKeyYSEHQRIXLPSEPA-MKRNSSSCSA-N
XLogP2.30
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N,N,2-trimethyl-1-[(2E)-3-methylimino-2-prop-2-enylidenepyrrol-1-yl]propan-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 N,N,2-trimethyl-1-[(2E)-3-methylimino-2-prop-2-enylidenepyrrol-1-yl]propan-2-amine?
The IUPAC name of N,N,2-trimethyl-1-[(2E)-3-methylimino-2-prop-2-enylidenepyrrol-1-yl]propan-2-amine (CID 162389292) is N,N,2-trimethyl-1-[(2E)-3-methylimino-2-prop-2-enylidenepyrrol-1-yl]propan-2-amine.
What is the SMILES notation for N,N,2-trimethyl-1-[(2E)-3-methylimino-2-prop-2-enylidenepyrrol-1-yl]propan-2-amine?
The canonical SMILES for N,N,2-trimethyl-1-[(2E)-3-methylimino-2-prop-2-enylidenepyrrol-1-yl]propan-2-amine is C=C/C=C1C(=N\C)\C=CN\1CC(C)(C)N(C)C.
What is the InChIKey of N,N,2-trimethyl-1-[(2E)-3-methylimino-2-prop-2-enylidenepyrrol-1-yl]propan-2-amine?
The InChIKey is YSEHQRIXLPSEPA-MKRNSSSCSA-N. The full InChI is InChI=1S/C14H23N3/c1-7-8-13-12(15-4)9-10-17(13)11-14(2,3)16(5)6/h7-10H,1,11H2,2-6H3/b13-8+,15-12+.
What are the key properties of N,N,2-trimethyl-1-[(2E)-3-methylimino-2-prop-2-enylidenepyrrol-1-yl]propan-2-amine?
N,N,2-trimethyl-1-[(2E)-3-methylimino-2-prop-2-enylidenepyrrol-1-yl]propan-2-amine has a molecular weight of 233.36 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-1-[(2E)-3-methylimino-2-prop-2-enylidenepyrrol-1-yl]propan-2-amine is sourced from PubChem (CID 162389292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).