N-ethyl-N-(1H-imidazol-2-ylmethyl)propan-2-amine

C9H17N3 — CID 176673035

IUPACN-ethyl-N-(1H-imidazol-2-ylmethyl)propan-2-amine
SMILESCCN(Cc1ncc[nH]1)C(C)C
InChIInChI=1S/C9H17N3/c1-4-12(8(2)3)7-9-10-5-6-11-9/h5-6,8H,4,7H2,1-3H3,(H,10,11)
InChIKeyMUCNPRNUDUQXNV-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.64
Rot. Bonds4

About N-ethyl-N-(1H-imidazol-2-ylmethyl)propan-2-amine

N-ethyl-N-(1H-imidazol-2-ylmethyl)propan-2-amine (PubChem CID 176673035) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is N-ethyl-N-(1H-imidazol-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-ethyl-N-(1H-imidazol-2-ylmethyl)propan-2-amine
PubChem CID176673035
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC NameN-ethyl-N-(1H-imidazol-2-ylmethyl)propan-2-amine
SMILESCCN(Cc1ncc[nH]1)C(C)C
InChIInChI=1S/C9H17N3/c1-4-12(8(2)3)7-9-10-5-6-11-9/h5-6,8H,4,7H2,1-3H3,(H,10,11)
InChIKeyMUCNPRNUDUQXNV-UHFFFAOYSA-N
XLogP1.64
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-bis(1H-imidazol-2-ylmethyl)propan-2-amine
CID 59825984
N-ethyl-N-(1H-imidazol-2-ylmethyl)ethanamine
CID 14627457
N-(1H-imidazol-2-ylmethyl)-N-methylethanamine
CID 55285283
(5S)-5-[[1H-imidazol-2-ylmethyl(propan-2-yl)amino]methyl]pyrrolidin-2-one
CID 95136036
2-N,2-N-diethyl-1-N-(1H-imidazol-2-ylmethyl)propane-1,2-diamine
CID 119111194
N'-[1-(1H-imidazol-2-yl)ethyl]-N'-(1H-imidazol-2-ylmethyl)butane-1,4-diamine
CID 23079176
N-(1H-imidazol-2-ylmethyl)-N,2-dimethylpropanamide
CID 63929546
(2R)-N-[(3-chlorophenyl)methyl]-N-(1H-imidazol-2-ylmethyl)butan-2-amine
CID 95046964
bis(2-ethyl-1H-imidazole);hydrate
CID 70001211
2-ethyl-1H-imidazole;dihydroiodide
CID 175121589
ethane;2-ethyl-1H-imidazole
CID 144736598
2-(2-methylpropyl)-1H-imidazole;dihydrochloride
CID 170357804

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(1H-imidazol-2-ylmethyl)propan-2-amine?
The IUPAC name of N-ethyl-N-(1H-imidazol-2-ylmethyl)propan-2-amine (CID 176673035) is N-ethyl-N-(1H-imidazol-2-ylmethyl)propan-2-amine.
What is the SMILES notation for N-ethyl-N-(1H-imidazol-2-ylmethyl)propan-2-amine?
The canonical SMILES for N-ethyl-N-(1H-imidazol-2-ylmethyl)propan-2-amine is CCN(Cc1ncc[nH]1)C(C)C.
What is the InChIKey of N-ethyl-N-(1H-imidazol-2-ylmethyl)propan-2-amine?
The InChIKey is MUCNPRNUDUQXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-4-12(8(2)3)7-9-10-5-6-11-9/h5-6,8H,4,7H2,1-3H3,(H,10,11).
What are the key properties of N-ethyl-N-(1H-imidazol-2-ylmethyl)propan-2-amine?
N-ethyl-N-(1H-imidazol-2-ylmethyl)propan-2-amine has a molecular weight of 167.26 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(1H-imidazol-2-ylmethyl)propan-2-amine is sourced from PubChem (CID 176673035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).