N-[(2-methyl-3-phenylimidazol-4-yl)methyl]pentan-1-amine

C16H23N3 — CID 79178650

IUPACN-[(2-methyl-3-phenylimidazol-4-yl)methyl]pentan-1-amine
SMILESCCCCCNCc1cnc(C)n1-c1ccccc1
InChIInChI=1S/C16H23N3/c1-3-4-8-11-17-12-16-13-18-14(2)19(16)15-9-6-5-7-10-15/h5-7,9-10,13,17H,3-4,8,11-12H2,1-2H3
InChIKeyDMADHOUGGPWXQH-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.46
Rot. Bonds7

About N-[(2-methyl-3-phenylimidazol-4-yl)methyl]pentan-1-amine

N-[(2-methyl-3-phenylimidazol-4-yl)methyl]pentan-1-amine (PubChem CID 79178650) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[(2-methyl-3-phenylimidazol-4-yl)methyl]pentan-1-amine.

Molecular Properties

Compound NameN-[(2-methyl-3-phenylimidazol-4-yl)methyl]pentan-1-amine
PubChem CID79178650
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-[(2-methyl-3-phenylimidazol-4-yl)methyl]pentan-1-amine
SMILESCCCCCNCc1cnc(C)n1-c1ccccc1
InChIInChI=1S/C16H23N3/c1-3-4-8-11-17-12-16-13-18-14(2)19(16)15-9-6-5-7-10-15/h5-7,9-10,13,17H,3-4,8,11-12H2,1-2H3
InChIKeyDMADHOUGGPWXQH-UHFFFAOYSA-N
XLogP3.46
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.46
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

5-[(2-methyl-3-phenylimidazol-4-yl)methylamino]pentan-1-ol
CID 107302931
5-[(2-methyl-3-phenylimidazol-4-yl)methylamino]pentanamide
CID 106233404
N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-3-propan-2-yloxypropan-1-amine
CID 79178221
N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-2-methylsulfanylethanamine
CID 79177785
N-[(2-methyl-3-phenylimidazol-4-yl)methyl]prop-2-en-1-amine
CID 79179946
N'-methyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-N'-prop-2-ynylpropane-1,3-diamine
CID 126816091
4-methyl-1-[(2-methyl-3-phenylimidazol-4-yl)methylamino]pentan-3-ol
CID 111969454
N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106395442
N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-1-pyridin-3-ylmethanamine
CID 79036219
2-methoxy-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]propan-1-amine
CID 102695833
1-(2-methyl-3-phenylimidazol-4-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 106392406
2-methyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]aniline
CID 79179309

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-3-phenylimidazol-4-yl)methyl]pentan-1-amine?
The IUPAC name of N-[(2-methyl-3-phenylimidazol-4-yl)methyl]pentan-1-amine (CID 79178650) is N-[(2-methyl-3-phenylimidazol-4-yl)methyl]pentan-1-amine.
What is the SMILES notation for N-[(2-methyl-3-phenylimidazol-4-yl)methyl]pentan-1-amine?
The canonical SMILES for N-[(2-methyl-3-phenylimidazol-4-yl)methyl]pentan-1-amine is CCCCCNCc1cnc(C)n1-c1ccccc1.
What is the InChIKey of N-[(2-methyl-3-phenylimidazol-4-yl)methyl]pentan-1-amine?
The InChIKey is DMADHOUGGPWXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-3-4-8-11-17-12-16-13-18-14(2)19(16)15-9-6-5-7-10-15/h5-7,9-10,13,17H,3-4,8,11-12H2,1-2H3.
What are the key properties of N-[(2-methyl-3-phenylimidazol-4-yl)methyl]pentan-1-amine?
N-[(2-methyl-3-phenylimidazol-4-yl)methyl]pentan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-3-phenylimidazol-4-yl)methyl]pentan-1-amine is sourced from PubChem (CID 79178650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).