1-(1-ethylimidazol-2-yl)-N,2-dimethylpropan-1-amine

C10H19N3 — CID 63967915

IUPAC1-(1-ethylimidazol-2-yl)-N,2-dimethylpropan-1-amine
SMILESCCn1ccnc1C(NC)C(C)C
InChIInChI=1S/C10H19N3/c1-5-13-7-6-12-10(13)9(11-4)8(2)3/h6-9,11H,5H2,1-4H3
InChIKeyNQGFFXUCAMGHLU-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.82
Rot. Bonds4

About 1-(1-ethylimidazol-2-yl)-N,2-dimethylpropan-1-amine

1-(1-ethylimidazol-2-yl)-N,2-dimethylpropan-1-amine (PubChem CID 63967915) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-(1-ethylimidazol-2-yl)-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-(1-ethylimidazol-2-yl)-N,2-dimethylpropan-1-amine
PubChem CID63967915
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name1-(1-ethylimidazol-2-yl)-N,2-dimethylpropan-1-amine
SMILESCCn1ccnc1C(NC)C(C)C
InChIInChI=1S/C10H19N3/c1-5-13-7-6-12-10(13)9(11-4)8(2)3/h6-9,11H,5H2,1-4H3
InChIKeyNQGFFXUCAMGHLU-UHFFFAOYSA-N
XLogP1.82
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethylimidazol-2-yl)-N,2-dimethylbutan-1-amine
CID 63968362
N-ethyl-1-(1-ethylimidazol-2-yl)-2-methylpropan-1-amine
CID 63967917
2,2-diethoxy-1-(1-ethylimidazol-2-yl)-N-methylethanamine
CID 79495582
3-(1-ethylimidazol-2-yl)-N-methylbutan-2-amine
CID 63199792
N-ethyl-2-methyl-1-(1-propylimidazol-2-yl)propan-1-amine
CID 63967916
2-ethoxy-N-methyl-1-(1-propylimidazol-2-yl)propan-1-amine
CID 64534593
1-(1-ethylimidazol-2-yl)-N-methyl-2-phenylbutan-1-amine
CID 115860159
2-(1-bromoethyl)-1-ethylimidazole
CID 71635251
1-(1-ethylimidazol-2-yl)ethanamine
CID 63970415
1-ethyl-2-[(1R)-1-iodoethyl]imidazole
CID 97177373
N,2-dimethyl-1-(1-methylimidazol-2-yl)butan-1-amine
CID 63974966
2-ethoxy-N-ethyl-1-(1-ethylimidazol-2-yl)propan-1-amine
CID 64533396

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylimidazol-2-yl)-N,2-dimethylpropan-1-amine?
The IUPAC name of 1-(1-ethylimidazol-2-yl)-N,2-dimethylpropan-1-amine (CID 63967915) is 1-(1-ethylimidazol-2-yl)-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-(1-ethylimidazol-2-yl)-N,2-dimethylpropan-1-amine?
The canonical SMILES for 1-(1-ethylimidazol-2-yl)-N,2-dimethylpropan-1-amine is CCn1ccnc1C(NC)C(C)C.
What is the InChIKey of 1-(1-ethylimidazol-2-yl)-N,2-dimethylpropan-1-amine?
The InChIKey is NQGFFXUCAMGHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-5-13-7-6-12-10(13)9(11-4)8(2)3/h6-9,11H,5H2,1-4H3.
What are the key properties of 1-(1-ethylimidazol-2-yl)-N,2-dimethylpropan-1-amine?
1-(1-ethylimidazol-2-yl)-N,2-dimethylpropan-1-amine has a molecular weight of 181.28 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylimidazol-2-yl)-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 63967915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).