N-ethyl-1-(1H-imidazol-2-yl)-3-methylbutan-2-amine

C10H19N3 — CID 43493340

IUPACN-ethyl-1-(1H-imidazol-2-yl)-3-methylbutan-2-amine
SMILESCCNC(Cc1ncc[nH]1)C(C)C
InChIInChI=1S/C10H19N3/c1-4-11-9(8(2)3)7-10-12-5-6-13-10/h5-6,8-9,11H,4,7H2,1-3H3,(H,12,13)
InChIKeyCLLLHIILPRIFTB-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.59
Rot. Bonds5

About N-ethyl-1-(1H-imidazol-2-yl)-3-methylbutan-2-amine

N-ethyl-1-(1H-imidazol-2-yl)-3-methylbutan-2-amine (PubChem CID 43493340) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is N-ethyl-1-(1H-imidazol-2-yl)-3-methylbutan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(1H-imidazol-2-yl)-3-methylbutan-2-amine
PubChem CID43493340
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC NameN-ethyl-1-(1H-imidazol-2-yl)-3-methylbutan-2-amine
SMILESCCNC(Cc1ncc[nH]1)C(C)C
InChIInChI=1S/C10H19N3/c1-4-11-9(8(2)3)7-10-12-5-6-13-10/h5-6,8-9,11H,4,7H2,1-3H3,(H,12,13)
InChIKeyCLLLHIILPRIFTB-UHFFFAOYSA-N
XLogP1.59
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(1H-imidazol-2-yl)-4-methyl-3-phenylhexan-2-amine
CID 43493378
2-(2-methylpropyl)-1H-imidazole;dihydrochloride
CID 170357804
N-ethyl-1-(1H-imidazol-2-yl)octan-2-amine
CID 114752420
2-(2-bromopropyl)-1H-imidazole
CID 61096377
N-ethyl-2-(1H-imidazol-2-yl)-1-(1-methylcyclohexyl)ethanamine
CID 106826923
1-(2,6-dichlorophenyl)-N-ethyl-2-(1H-imidazol-2-yl)ethanamine
CID 43493442
benzyl N-[1-(1H-imidazol-2-yl)-3-methylbutan-2-yl]carbamate
CID 18934604
1-(1H-imidazol-2-yl)propan-2-ylcarbamic acid
CID 68743487
1-(1,4-dioxan-2-yl)-N-ethyl-2-(1H-imidazol-2-yl)ethanamine
CID 62804886
1-[4-(difluoromethoxy)phenyl]-N-ethyl-2-(1H-imidazol-2-yl)ethanamine
CID 43493333
2-(2-bromo-4-methylpentyl)-1H-imidazole
CID 61096577
bis(2-ethyl-1H-imidazole);hydrate
CID 70001211

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1H-imidazol-2-yl)-3-methylbutan-2-amine?
The IUPAC name of N-ethyl-1-(1H-imidazol-2-yl)-3-methylbutan-2-amine (CID 43493340) is N-ethyl-1-(1H-imidazol-2-yl)-3-methylbutan-2-amine.
What is the SMILES notation for N-ethyl-1-(1H-imidazol-2-yl)-3-methylbutan-2-amine?
The canonical SMILES for N-ethyl-1-(1H-imidazol-2-yl)-3-methylbutan-2-amine is CCNC(Cc1ncc[nH]1)C(C)C.
What is the InChIKey of N-ethyl-1-(1H-imidazol-2-yl)-3-methylbutan-2-amine?
The InChIKey is CLLLHIILPRIFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-4-11-9(8(2)3)7-10-12-5-6-13-10/h5-6,8-9,11H,4,7H2,1-3H3,(H,12,13).
What are the key properties of N-ethyl-1-(1H-imidazol-2-yl)-3-methylbutan-2-amine?
N-ethyl-1-(1H-imidazol-2-yl)-3-methylbutan-2-amine has a molecular weight of 181.28 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1H-imidazol-2-yl)-3-methylbutan-2-amine is sourced from PubChem (CID 43493340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).