3-(1-ethylimidazol-2-yl)-N-methylbutan-2-amine

C10H19N3 — CID 63199792

IUPAC3-(1-ethylimidazol-2-yl)-N-methylbutan-2-amine
SMILESCCn1ccnc1C(C)C(C)NC
InChIInChI=1S/C10H19N3/c1-5-13-7-6-12-10(13)8(2)9(3)11-4/h6-9,11H,5H2,1-4H3
InChIKeyCZDNNDNUETYFAC-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.61
Rot. Bonds4

About 3-(1-ethylimidazol-2-yl)-N-methylbutan-2-amine

3-(1-ethylimidazol-2-yl)-N-methylbutan-2-amine (PubChem CID 63199792) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 3-(1-ethylimidazol-2-yl)-N-methylbutan-2-amine.

Molecular Properties

Compound Name3-(1-ethylimidazol-2-yl)-N-methylbutan-2-amine
PubChem CID63199792
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name3-(1-ethylimidazol-2-yl)-N-methylbutan-2-amine
SMILESCCn1ccnc1C(C)C(C)NC
InChIInChI=1S/C10H19N3/c1-5-13-7-6-12-10(13)8(2)9(3)11-4/h6-9,11H,5H2,1-4H3
InChIKeyCZDNNDNUETYFAC-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethylimidazol-2-yl)-N,2-dimethylpropan-1-amine
CID 63967915
1-(1-ethylimidazol-2-yl)-N,2-dimethylbutan-1-amine
CID 63968362
1-(1-ethylimidazol-2-yl)ethanamine
CID 63970415
2-(1-bromoethyl)-1-ethylimidazole
CID 71635251
1-ethyl-2-[(1R)-1-iodoethyl]imidazole
CID 97177373
(1S)-1-(1-ethylimidazol-2-yl)-N-methylethanesulfonamide
CID 97177386
1-(1-ethylimidazol-2-yl)-N,3,5,5-tetramethylhexan-1-amine
CID 115860234
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
1-(1-ethylimidazol-2-yl)-N-methyl-2-phenylbutan-1-amine
CID 115860159
N',N'-diethyl-1-(1-ethylimidazol-2-yl)-N-methylpropane-1,3-diamine
CID 79087528
1-(4-chlorophenyl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine
CID 61316350

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylimidazol-2-yl)-N-methylbutan-2-amine?
The IUPAC name of 3-(1-ethylimidazol-2-yl)-N-methylbutan-2-amine (CID 63199792) is 3-(1-ethylimidazol-2-yl)-N-methylbutan-2-amine.
What is the SMILES notation for 3-(1-ethylimidazol-2-yl)-N-methylbutan-2-amine?
The canonical SMILES for 3-(1-ethylimidazol-2-yl)-N-methylbutan-2-amine is CCn1ccnc1C(C)C(C)NC.
What is the InChIKey of 3-(1-ethylimidazol-2-yl)-N-methylbutan-2-amine?
The InChIKey is CZDNNDNUETYFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-5-13-7-6-12-10(13)8(2)9(3)11-4/h6-9,11H,5H2,1-4H3.
What are the key properties of 3-(1-ethylimidazol-2-yl)-N-methylbutan-2-amine?
3-(1-ethylimidazol-2-yl)-N-methylbutan-2-amine has a molecular weight of 181.28 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylimidazol-2-yl)-N-methylbutan-2-amine is sourced from PubChem (CID 63199792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).