N-[(5-methyl-4-propan-2-yl-1H-imidazol-2-yl)methyl]ethanamine

C10H19N3 — CID 114997302

IUPACN-[(5-methyl-4-propan-2-yl-1H-imidazol-2-yl)methyl]ethanamine
SMILESCCNCc1nc(C(C)C)c(C)[nH]1
InChIInChI=1S/C10H19N3/c1-5-11-6-9-12-8(4)10(13-9)7(2)3/h7,11H,5-6H2,1-4H3,(H,12,13)
InChIKeyZCSCQJQVRCYUHB-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.95
Rot. Bonds4

About N-[(5-methyl-4-propan-2-yl-1H-imidazol-2-yl)methyl]ethanamine

N-[(5-methyl-4-propan-2-yl-1H-imidazol-2-yl)methyl]ethanamine (PubChem CID 114997302) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is N-[(5-methyl-4-propan-2-yl-1H-imidazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-methyl-4-propan-2-yl-1H-imidazol-2-yl)methyl]ethanamine
PubChem CID114997302
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC NameN-[(5-methyl-4-propan-2-yl-1H-imidazol-2-yl)methyl]ethanamine
SMILESCCNCc1nc(C(C)C)c(C)[nH]1
InChIInChI=1S/C10H19N3/c1-5-11-6-9-12-8(4)10(13-9)7(2)3/h7,11H,5-6H2,1-4H3,(H,12,13)
InChIKeyZCSCQJQVRCYUHB-UHFFFAOYSA-N
XLogP1.95
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(5-methyl-4-propan-2-yl-1H-imidazol-2-yl)methanol
CID 105430142
2-(5-methyl-4-propan-2-yl-1H-imidazol-2-yl)ethanamine
CID 82236116
5-methyl-2,4-di(propan-2-yl)-1H-imidazole
CID 66803864
1-ethyl-2-methyl-4-propan-2-ylimidazole;2-ethyl-5-methyl-4-propan-2-yl-1H-imidazole
CID 161251698
1-(5-methyl-4-propan-2-yl-1H-imidazol-2-yl)propan-1-amine
CID 82236115
(5-ethyl-4-propan-2-yl-1H-imidazol-2-yl)methanol
CID 105433907
5-methyl-4-propan-2-yl-2-propyl-1H-pyrimidin-6-one
CID 136692836
[4,5-di(propan-2-yl)-1H-imidazol-2-yl]methanamine
CID 105439692
N-[(4,4-dimethyl-1,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]ethanamine
CID 79847683
1-(2-decyl-5-methyl-1H-imidazol-4-yl)ethanamine
CID 141279063
butyl 2-(2-ethyl-5-methyl-1H-imidazol-4-yl)propanoate
CID 164863143
N-[(4-propan-2-ylthiadiazol-5-yl)methyl]ethanamine
CID 65204858

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-4-propan-2-yl-1H-imidazol-2-yl)methyl]ethanamine?
The IUPAC name of N-[(5-methyl-4-propan-2-yl-1H-imidazol-2-yl)methyl]ethanamine (CID 114997302) is N-[(5-methyl-4-propan-2-yl-1H-imidazol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-methyl-4-propan-2-yl-1H-imidazol-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-methyl-4-propan-2-yl-1H-imidazol-2-yl)methyl]ethanamine is CCNCc1nc(C(C)C)c(C)[nH]1.
What is the InChIKey of N-[(5-methyl-4-propan-2-yl-1H-imidazol-2-yl)methyl]ethanamine?
The InChIKey is ZCSCQJQVRCYUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-5-11-6-9-12-8(4)10(13-9)7(2)3/h7,11H,5-6H2,1-4H3,(H,12,13).
What are the key properties of N-[(5-methyl-4-propan-2-yl-1H-imidazol-2-yl)methyl]ethanamine?
N-[(5-methyl-4-propan-2-yl-1H-imidazol-2-yl)methyl]ethanamine has a molecular weight of 181.28 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-4-propan-2-yl-1H-imidazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 114997302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).