(E)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylbut-2-en-1-amine

C13H23N3 — CID 50965346

IUPAC(E)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylbut-2-en-1-amine
SMILESC/C=C(\C)CN(Cc1nccn1C)C(C)C
InChIInChI=1S/C13H23N3/c1-6-12(4)9-16(11(2)3)10-13-14-7-8-15(13)5/h6-8,11H,9-10H2,1-5H3/b12-6+
InChIKeyPCCCZUGWDGXJHH-WUXMJOGZSA-N
MW221.35 g/mol
LogP2.60
Rot. Bonds5

About (E)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylbut-2-en-1-amine

(E)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylbut-2-en-1-amine (PubChem CID 50965346) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is (E)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylbut-2-en-1-amine.

Molecular Properties

Compound Name(E)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylbut-2-en-1-amine
PubChem CID50965346
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name(E)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylbut-2-en-1-amine
SMILESC/C=C(\C)CN(Cc1nccn1C)C(C)C
InChIInChI=1S/C13H23N3/c1-6-12(4)9-16(11(2)3)10-13-14-7-8-15(13)5/h6-8,11H,9-10H2,1-5H3/b12-6+
InChIKeyPCCCZUGWDGXJHH-WUXMJOGZSA-N
XLogP2.60
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(1-methylimidazol-2-yl)methyl-propan-2-ylamino]acetic acid
CID 60840145
3-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]-N-propan-2-ylpropan-1-amine
CID 114531717
3-[2-(1-methylimidazol-2-yl)ethyl-propan-2-ylamino]propanethioamide
CID 114527902
1-[2-[bis[(1-methylimidazol-2-yl)methyl]amino]ethyl-[(1-methylimidazol-2-yl)methyl]amino]propan-1-ol
CID 66810197
1-methyl-2-(3-methylbutyl)imidazole
CID 68983412
2-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 107904600
N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63015144
2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine
CID 63014615
1-methyl-2-[3-(1-methylimidazol-2-yl)propyl]imidazole
CID 67392091
2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanethioamide
CID 63015012
4-[[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]-propan-2-ylamino]butanoic acid
CID 63026911
4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pentane-2,4-diamine
CID 64708051

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylbut-2-en-1-amine?
The IUPAC name of (E)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylbut-2-en-1-amine (CID 50965346) is (E)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylbut-2-en-1-amine.
What is the SMILES notation for (E)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylbut-2-en-1-amine?
The canonical SMILES for (E)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylbut-2-en-1-amine is C/C=C(\C)CN(Cc1nccn1C)C(C)C.
What is the InChIKey of (E)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylbut-2-en-1-amine?
The InChIKey is PCCCZUGWDGXJHH-WUXMJOGZSA-N. The full InChI is InChI=1S/C13H23N3/c1-6-12(4)9-16(11(2)3)10-13-14-7-8-15(13)5/h6-8,11H,9-10H2,1-5H3/b12-6+.
What are the key properties of (E)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylbut-2-en-1-amine?
(E)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylbut-2-en-1-amine has a molecular weight of 221.35 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylbut-2-en-1-amine is sourced from PubChem (CID 50965346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).