N-[(3-methylimidazol-4-yl)methyl]-2-phenylcyclopropan-1-amine

C14H17N3 — CID 63001278

IUPACN-[(3-methylimidazol-4-yl)methyl]-2-phenylcyclopropan-1-amine
SMILESCn1cncc1CNC1CC1c1ccccc1
InChIInChI=1S/C14H17N3/c1-17-10-15-8-12(17)9-16-14-7-13(14)11-5-3-2-4-6-11/h2-6,8,10,13-14,16H,7,9H2,1H3
InChIKeySTWYSTBVPKVPGQ-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.07
Rot. Bonds4

About N-[(3-methylimidazol-4-yl)methyl]-2-phenylcyclopropan-1-amine

N-[(3-methylimidazol-4-yl)methyl]-2-phenylcyclopropan-1-amine (PubChem CID 63001278) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-[(3-methylimidazol-4-yl)methyl]-2-phenylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[(3-methylimidazol-4-yl)methyl]-2-phenylcyclopropan-1-amine
PubChem CID63001278
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC NameN-[(3-methylimidazol-4-yl)methyl]-2-phenylcyclopropan-1-amine
SMILESCn1cncc1CNC1CC1c1ccccc1
InChIInChI=1S/C14H17N3/c1-17-10-15-8-12(17)9-16-14-7-13(14)11-5-3-2-4-6-11/h2-6,8,10,13-14,16H,7,9H2,1H3
InChIKeySTWYSTBVPKVPGQ-UHFFFAOYSA-N
XLogP2.07
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methylimidazol-4-yl)methyl]-2-phenylcyclopropan-1-amine?
The IUPAC name of N-[(3-methylimidazol-4-yl)methyl]-2-phenylcyclopropan-1-amine (CID 63001278) is N-[(3-methylimidazol-4-yl)methyl]-2-phenylcyclopropan-1-amine.
What is the SMILES notation for N-[(3-methylimidazol-4-yl)methyl]-2-phenylcyclopropan-1-amine?
The canonical SMILES for N-[(3-methylimidazol-4-yl)methyl]-2-phenylcyclopropan-1-amine is Cn1cncc1CNC1CC1c1ccccc1.
What is the InChIKey of N-[(3-methylimidazol-4-yl)methyl]-2-phenylcyclopropan-1-amine?
The InChIKey is STWYSTBVPKVPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-17-10-15-8-12(17)9-16-14-7-13(14)11-5-3-2-4-6-11/h2-6,8,10,13-14,16H,7,9H2,1H3.
What are the key properties of N-[(3-methylimidazol-4-yl)methyl]-2-phenylcyclopropan-1-amine?
N-[(3-methylimidazol-4-yl)methyl]-2-phenylcyclopropan-1-amine has a molecular weight of 227.31 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylimidazol-4-yl)methyl]-2-phenylcyclopropan-1-amine is sourced from PubChem (CID 63001278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).