1-imidazol-1-yl-N,N-dimethylethanamine

C7H13N3 — CID 123720804

IUPAC1-imidazol-1-yl-N,N-dimethylethanamine
SMILESCC(N(C)C)n1ccnc1
InChIInChI=1S/C7H13N3/c1-7(9(2)3)10-5-4-8-6-10/h4-7H,1-3H3
InChIKeyKRUSSPMJTXOCAM-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.96
Rot. Bonds2

About 1-imidazol-1-yl-N,N-dimethylethanamine

1-imidazol-1-yl-N,N-dimethylethanamine (PubChem CID 123720804) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 1-imidazol-1-yl-N,N-dimethylethanamine.

Molecular Properties

Compound Name1-imidazol-1-yl-N,N-dimethylethanamine
PubChem CID123720804
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name1-imidazol-1-yl-N,N-dimethylethanamine
SMILESCC(N(C)C)n1ccnc1
InChIInChI=1S/C7H13N3/c1-7(9(2)3)10-5-4-8-6-10/h4-7H,1-3H3
InChIKeyKRUSSPMJTXOCAM-UHFFFAOYSA-N
XLogP0.96
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-chloroethyl)imidazole
CID 22400425
ethane;methane;1-propan-2-ylimidazole
CID 159501500
1-imidazol-1-ylethanol
CID 18366448
carbonic acid;1-propan-2-ylimidazole
CID 175084414
1-(1-nitrosoethyl)imidazole
CID 54257439
4-(dimethylamino)-4-imidazol-1-ylbutan-2-one
CID 91478094
1-(dibromomethyl)imidazole
CID 175175892
1-(3-ethylpentan-2-yl)imidazole
CID 174620112
2-imidazol-1-ylpropanoic acid
CID 16788764
3-imidazol-1-yl-2-methylbutan-1-ol
CID 175456852
1-(4,4-dimethylpentan-2-yl)imidazole
CID 118984043
1-(2,2,5-trimethylhexan-3-yl)imidazole
CID 91156028

Frequently Asked Questions

What is the IUPAC name of 1-imidazol-1-yl-N,N-dimethylethanamine?
The IUPAC name of 1-imidazol-1-yl-N,N-dimethylethanamine (CID 123720804) is 1-imidazol-1-yl-N,N-dimethylethanamine.
What is the SMILES notation for 1-imidazol-1-yl-N,N-dimethylethanamine?
The canonical SMILES for 1-imidazol-1-yl-N,N-dimethylethanamine is CC(N(C)C)n1ccnc1.
What is the InChIKey of 1-imidazol-1-yl-N,N-dimethylethanamine?
The InChIKey is KRUSSPMJTXOCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-7(9(2)3)10-5-4-8-6-10/h4-7H,1-3H3.
What are the key properties of 1-imidazol-1-yl-N,N-dimethylethanamine?
1-imidazol-1-yl-N,N-dimethylethanamine has a molecular weight of 139.20 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazol-1-yl-N,N-dimethylethanamine is sourced from PubChem (CID 123720804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).