N-[(4-imidazol-1-ylphenyl)methyl]octan-1-amine

C18H27N3 — CID 78911236

IUPACN-[(4-imidazol-1-ylphenyl)methyl]octan-1-amine
SMILESCCCCCCCCNCc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C18H27N3/c1-2-3-4-5-6-7-12-19-15-17-8-10-18(11-9-17)21-14-13-20-16-21/h8-11,13-14,16,19H,2-7,12,15H2,1H3
InChIKeyNCKVFEAUSOBPEB-UHFFFAOYSA-N
MW285.44 g/mol
LogP4.32
Rot. Bonds10

About N-[(4-imidazol-1-ylphenyl)methyl]octan-1-amine

N-[(4-imidazol-1-ylphenyl)methyl]octan-1-amine (PubChem CID 78911236) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is N-[(4-imidazol-1-ylphenyl)methyl]octan-1-amine.

Molecular Properties

Compound NameN-[(4-imidazol-1-ylphenyl)methyl]octan-1-amine
PubChem CID78911236
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC NameN-[(4-imidazol-1-ylphenyl)methyl]octan-1-amine
SMILESCCCCCCCCNCc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C18H27N3/c1-2-3-4-5-6-7-12-19-15-17-8-10-18(11-9-17)21-14-13-20-16-21/h8-11,13-14,16,19H,2-7,12,15H2,1H3
InChIKeyNCKVFEAUSOBPEB-UHFFFAOYSA-N
XLogP4.32
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 54.32
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

N-[(4-imidazol-1-ylphenyl)methyl]propan-1-amine
CID 43213832
N'-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]-N'-propylethane-1,2-diamine
CID 103720781
5-[(4-imidazol-1-ylphenyl)methylamino]pentan-2-ol
CID 107267783
N-[(4-imidazol-1-ylphenyl)methyl]-3-methylbutan-1-amine
CID 43220439
N-[(4-imidazol-1-ylphenyl)methyl]-2-methoxyethanamine
CID 43220295
1-(4-butylphenyl)imidazole
CID 174821695
N-[(4-imidazol-1-ylphenyl)methyl]-2-methylsulfinylethanamine
CID 115632439
2-[(4-imidazol-1-ylphenyl)methylamino]-N-propylacetamide
CID 43221383
N-[(4-imidazol-1-ylphenyl)methyl]hexan-2-amine
CID 62200953
3-[(4-imidazol-1-ylphenyl)methylamino]propanoic acid
CID 43466403
N-[(4-bromophenyl)methyl]-1-(4-imidazol-1-ylphenyl)methanamine
CID 60781344
1-[(4-imidazol-1-ylphenyl)methylamino]-4-methylpentan-3-ol
CID 111468204

Frequently Asked Questions

What is the IUPAC name of N-[(4-imidazol-1-ylphenyl)methyl]octan-1-amine?
The IUPAC name of N-[(4-imidazol-1-ylphenyl)methyl]octan-1-amine (CID 78911236) is N-[(4-imidazol-1-ylphenyl)methyl]octan-1-amine.
What is the SMILES notation for N-[(4-imidazol-1-ylphenyl)methyl]octan-1-amine?
The canonical SMILES for N-[(4-imidazol-1-ylphenyl)methyl]octan-1-amine is CCCCCCCCNCc1ccc(-n2ccnc2)cc1.
What is the InChIKey of N-[(4-imidazol-1-ylphenyl)methyl]octan-1-amine?
The InChIKey is NCKVFEAUSOBPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-2-3-4-5-6-7-12-19-15-17-8-10-18(11-9-17)21-14-13-20-16-21/h8-11,13-14,16,19H,2-7,12,15H2,1H3.
What are the key properties of N-[(4-imidazol-1-ylphenyl)methyl]octan-1-amine?
N-[(4-imidazol-1-ylphenyl)methyl]octan-1-amine has a molecular weight of 285.44 g/mol, XLogP of 4.32, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-imidazol-1-ylphenyl)methyl]octan-1-amine is sourced from PubChem (CID 78911236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).