N-[(3-ethylimidazol-4-yl)methyl]-2-methylcyclopropan-1-amine

C10H17N3 — CID 66135498

IUPACN-[(3-ethylimidazol-4-yl)methyl]-2-methylcyclopropan-1-amine
SMILESCCn1cncc1CNC1CC1C
InChIInChI=1S/C10H17N3/c1-3-13-7-11-5-9(13)6-12-10-4-8(10)2/h5,7-8,10,12H,3-4,6H2,1-2H3
InChIKeyTYDRUFIUCGJOFE-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.40
Rot. Bonds4

About N-[(3-ethylimidazol-4-yl)methyl]-2-methylcyclopropan-1-amine

N-[(3-ethylimidazol-4-yl)methyl]-2-methylcyclopropan-1-amine (PubChem CID 66135498) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is N-[(3-ethylimidazol-4-yl)methyl]-2-methylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[(3-ethylimidazol-4-yl)methyl]-2-methylcyclopropan-1-amine
PubChem CID66135498
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC NameN-[(3-ethylimidazol-4-yl)methyl]-2-methylcyclopropan-1-amine
SMILESCCn1cncc1CNC1CC1C
InChIInChI=1S/C10H17N3/c1-3-13-7-11-5-9(13)6-12-10-4-8(10)2/h5,7-8,10,12H,3-4,6H2,1-2H3
InChIKeyTYDRUFIUCGJOFE-UHFFFAOYSA-N
XLogP1.40
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-[(3-ethylimidazol-4-yl)methylamino]cyclopropyl]carbamate
CID 107237586
N-[(3-ethylimidazol-4-yl)methyl]-2,6-dimethylpiperidin-1-amine
CID 83007196
2-methyl-N-[(3-propylimidazol-4-yl)methyl]cycloheptan-1-amine
CID 66129396
N-[(3-ethylimidazol-4-yl)methyl]-1,1-dioxothiolan-3-amine
CID 66118433
3-[(3-propylimidazol-4-yl)methylamino]cyclobutan-1-ol
CID 66129997
N-[(3-ethylimidazol-4-yl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 66133237
N-[(3-ethylimidazol-4-yl)methyl]propan-2-amine
CID 66118230
1-butyl-N-[(3-ethylimidazol-4-yl)methyl]piperidin-4-amine
CID 66133818
tert-butyl 4-[(3-ethylimidazol-4-yl)methylamino]-2-methylpiperidine-1-carboxylate
CID 107255150
3-[(3-ethylimidazol-4-yl)methylamino]piperidine-2,6-dione
CID 66134685
(3S,4S)-N-[(3-ethylimidazol-4-yl)methyl]-4-(1-methylpyrazol-4-yl)oxyoxolan-3-amine
CID 167780487
3-[(3-ethylimidazol-4-yl)methylamino]azepan-2-one
CID 66132755

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]-2-methylcyclopropan-1-amine?
The IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]-2-methylcyclopropan-1-amine (CID 66135498) is N-[(3-ethylimidazol-4-yl)methyl]-2-methylcyclopropan-1-amine.
What is the SMILES notation for N-[(3-ethylimidazol-4-yl)methyl]-2-methylcyclopropan-1-amine?
The canonical SMILES for N-[(3-ethylimidazol-4-yl)methyl]-2-methylcyclopropan-1-amine is CCn1cncc1CNC1CC1C.
What is the InChIKey of N-[(3-ethylimidazol-4-yl)methyl]-2-methylcyclopropan-1-amine?
The InChIKey is TYDRUFIUCGJOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-3-13-7-11-5-9(13)6-12-10-4-8(10)2/h5,7-8,10,12H,3-4,6H2,1-2H3.
What are the key properties of N-[(3-ethylimidazol-4-yl)methyl]-2-methylcyclopropan-1-amine?
N-[(3-ethylimidazol-4-yl)methyl]-2-methylcyclopropan-1-amine has a molecular weight of 179.27 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylimidazol-4-yl)methyl]-2-methylcyclopropan-1-amine is sourced from PubChem (CID 66135498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).