1-(4-cyclopropylphenyl)-N-(1H-imidazol-5-ylmethyl)methanamine

C14H17N3 — CID 79984096

IUPAC1-(4-cyclopropylphenyl)-N-(1H-imidazol-5-ylmethyl)methanamine
SMILESc1ncc(CNCc2ccc(C3CC3)cc2)[nH]1
InChIInChI=1S/C14H17N3/c1-3-12(13-5-6-13)4-2-11(1)7-15-8-14-9-16-10-17-14/h1-4,9-10,13,15H,5-8H2,(H,16,17)
InChIKeySFUZUUKDAASJQO-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.58
Rot. Bonds5

About 1-(4-cyclopropylphenyl)-N-(1H-imidazol-5-ylmethyl)methanamine

1-(4-cyclopropylphenyl)-N-(1H-imidazol-5-ylmethyl)methanamine (PubChem CID 79984096) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-(4-cyclopropylphenyl)-N-(1H-imidazol-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(4-cyclopropylphenyl)-N-(1H-imidazol-5-ylmethyl)methanamine
PubChem CID79984096
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name1-(4-cyclopropylphenyl)-N-(1H-imidazol-5-ylmethyl)methanamine
SMILESc1ncc(CNCc2ccc(C3CC3)cc2)[nH]1
InChIInChI=1S/C14H17N3/c1-3-12(13-5-6-13)4-2-11(1)7-15-8-14-9-16-10-17-14/h1-4,9-10,13,15H,5-8H2,(H,16,17)
InChIKeySFUZUUKDAASJQO-UHFFFAOYSA-N
XLogP2.58
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropylphenyl)-N-(1H-imidazol-5-ylmethyl)methanamine?
The IUPAC name of 1-(4-cyclopropylphenyl)-N-(1H-imidazol-5-ylmethyl)methanamine (CID 79984096) is 1-(4-cyclopropylphenyl)-N-(1H-imidazol-5-ylmethyl)methanamine.
What is the SMILES notation for 1-(4-cyclopropylphenyl)-N-(1H-imidazol-5-ylmethyl)methanamine?
The canonical SMILES for 1-(4-cyclopropylphenyl)-N-(1H-imidazol-5-ylmethyl)methanamine is c1ncc(CNCc2ccc(C3CC3)cc2)[nH]1.
What is the InChIKey of 1-(4-cyclopropylphenyl)-N-(1H-imidazol-5-ylmethyl)methanamine?
The InChIKey is SFUZUUKDAASJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-3-12(13-5-6-13)4-2-11(1)7-15-8-14-9-16-10-17-14/h1-4,9-10,13,15H,5-8H2,(H,16,17).
What are the key properties of 1-(4-cyclopropylphenyl)-N-(1H-imidazol-5-ylmethyl)methanamine?
1-(4-cyclopropylphenyl)-N-(1H-imidazol-5-ylmethyl)methanamine has a molecular weight of 227.31 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropylphenyl)-N-(1H-imidazol-5-ylmethyl)methanamine is sourced from PubChem (CID 79984096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).