2-cyclopropyl-N-[(3-methylimidazol-4-yl)methyl]ethanamine

C10H17N3 — CID 66118770

IUPAC2-cyclopropyl-N-[(3-methylimidazol-4-yl)methyl]ethanamine
SMILESCn1cncc1CNCCC1CC1
InChIInChI=1S/C10H17N3/c1-13-8-12-7-10(13)6-11-5-4-9-2-3-9/h7-9,11H,2-6H2,1H3
InChIKeyHBBAFEKSUNKOBJ-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.31
Rot. Bonds5

About 2-cyclopropyl-N-[(3-methylimidazol-4-yl)methyl]ethanamine

2-cyclopropyl-N-[(3-methylimidazol-4-yl)methyl]ethanamine (PubChem CID 66118770) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(3-methylimidazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-cyclopropyl-N-[(3-methylimidazol-4-yl)methyl]ethanamine
PubChem CID66118770
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name2-cyclopropyl-N-[(3-methylimidazol-4-yl)methyl]ethanamine
SMILESCn1cncc1CNCCC1CC1
InChIInChI=1S/C10H17N3/c1-13-8-12-7-10(13)6-11-5-4-9-2-3-9/h7-9,11H,2-6H2,1H3
InChIKeyHBBAFEKSUNKOBJ-UHFFFAOYSA-N
XLogP1.31
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,3,3-trifluoro-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine
CID 66116451
2-cyclohexyl-N-[(3-ethylimidazol-4-yl)methyl]ethanamine
CID 66135055
N-ethyl-N'-[(3-methylimidazol-4-yl)methyl]propane-1,3-diamine
CID 103510883
N-[(3-methylimidazol-4-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine
CID 63031421
N'-[(3-methylimidazol-4-yl)methyl]-N-propylpropane-1,3-diamine
CID 103510884
(E)-N-[(3-methylimidazol-4-yl)methyl]pent-3-en-1-amine
CID 115628974
3-butoxy-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine
CID 115606778
3-(2,6-dimethylmorpholin-4-yl)-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine
CID 119109875
N-[(3-methylimidazol-4-yl)methyl]-2-phenylethanamine
CID 53397214
N-[(3-methylimidazol-4-yl)methyl]-1-[(3S)-1-propylpyrrolidin-3-yl]methanamine
CID 124682664
N-[(3-methylimidazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 62997683
2-(cyclopenten-1-yl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine
CID 103845310

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(3-methylimidazol-4-yl)methyl]ethanamine?
The IUPAC name of 2-cyclopropyl-N-[(3-methylimidazol-4-yl)methyl]ethanamine (CID 66118770) is 2-cyclopropyl-N-[(3-methylimidazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 2-cyclopropyl-N-[(3-methylimidazol-4-yl)methyl]ethanamine?
The canonical SMILES for 2-cyclopropyl-N-[(3-methylimidazol-4-yl)methyl]ethanamine is Cn1cncc1CNCCC1CC1.
What is the InChIKey of 2-cyclopropyl-N-[(3-methylimidazol-4-yl)methyl]ethanamine?
The InChIKey is HBBAFEKSUNKOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-13-8-12-7-10(13)6-11-5-4-9-2-3-9/h7-9,11H,2-6H2,1H3.
What are the key properties of 2-cyclopropyl-N-[(3-methylimidazol-4-yl)methyl]ethanamine?
2-cyclopropyl-N-[(3-methylimidazol-4-yl)methyl]ethanamine has a molecular weight of 179.27 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(3-methylimidazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 66118770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).