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'}

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Related Compounds

3,4-Dimethyl-2,3-dihydrocyclopenta[b]pyrazine
CID 53400736
1-methyl-2-[2-methyl-3-(1-methyl-3H-pyrrol-1-ium-2-yl)prop-2-enylidene]-3H-pyrrole
CID 59893251
2-methyl-5-[(2-methylidene-3H-pyrrol-1-yl)methyl]-3H-pyridin-3-ide;yttrium
CID 60014965
4-Methyl-2,3-dihydrocyclopenta[b]pyrazine
CID 66649807
1-Ethyl-4-methylidene-5-(3-methylpent-2-enylidene)-6-prop-1-enyl-2,3-dihydropyrazine-1,4-diium
CID 123195700
N-ethenyl-1-ethyl-2-propan-2-ylidenepyrrol-3-imine
CID 156158723
(3Z)-5-[(1Z)-buta-1,3-dienyl]imino-N-ethenyl-N-methylhepta-1,3,6-trien-4-amine
CID 166959142
1-Methyl-2,3-dihydrocyclohepta[b]pyrazine
CID 21782758
1-[(2Z,4E)-4-ethenylhexa-2,4-dien-3-yl]-3-methyl-2-methylidenepyrazine
CID 143756626
(3E)-5-ethylimino-N,N-dipropylhexa-1,3-dien-3-amine
CID 144075760
4-tert-butylimino-1-N,1-N,2-N,2-N-tetramethylcyclopenta-2,5-diene-1,2-diamine
CID 174060728

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).