2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propan-2-amine

C17H25N3 — CID 62221649

IUPAC2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1nccn1CCCc1ccccc1
InChIInChI=1S/C17H25N3/c1-17(2,3)19-14-16-18-11-13-20(16)12-7-10-15-8-5-4-6-9-15/h4-6,8-9,11,13,19H,7,10,12,14H2,1-3H3
InChIKeyRWRDVIACWXBXMA-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.40
Rot. Bonds6

About 2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propan-2-amine

2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propan-2-amine (PubChem CID 62221649) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propan-2-amine
PubChem CID62221649
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1nccn1CCCc1ccccc1
InChIInChI=1S/C17H25N3/c1-17(2,3)19-14-16-18-11-13-20(16)12-7-10-15-8-5-4-6-9-15/h4-6,8-9,11,13,19H,7,10,12,14H2,1-3H3
InChIKeyRWRDVIACWXBXMA-UHFFFAOYSA-N
XLogP3.40
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propan-2-amine (CID 62221649) is 2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propan-2-amine is CC(C)(C)NCc1nccn1CCCc1ccccc1.
What is the InChIKey of 2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propan-2-amine?
The InChIKey is RWRDVIACWXBXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-17(2,3)19-14-16-18-11-13-20(16)12-7-10-15-8-5-4-6-9-15/h4-6,8-9,11,13,19H,7,10,12,14H2,1-3H3.
What are the key properties of 2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propan-2-amine?
2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propan-2-amine has a molecular weight of 271.41 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62221649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).