N-[2-[4-(1H-imidazol-2-yl)phenyl]ethyl]pentan-1-amine

C16H23N3 — CID 18975538

IUPACN-[2-[4-(1H-imidazol-2-yl)phenyl]ethyl]pentan-1-amine
SMILESCCCCCNCCc1ccc(-c2ncc[nH]2)cc1
InChIInChI=1S/C16H23N3/c1-2-3-4-10-17-11-9-14-5-7-15(8-6-14)16-18-12-13-19-16/h5-8,12-13,17H,2-4,9-11H2,1H3,(H,18,19)
InChIKeyXJQLNKIMQNJUBV-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.40
Rot. Bonds8

About N-[2-[4-(1H-imidazol-2-yl)phenyl]ethyl]pentan-1-amine

N-[2-[4-(1H-imidazol-2-yl)phenyl]ethyl]pentan-1-amine (PubChem CID 18975538) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[2-[4-(1H-imidazol-2-yl)phenyl]ethyl]pentan-1-amine.

Molecular Properties

Compound NameN-[2-[4-(1H-imidazol-2-yl)phenyl]ethyl]pentan-1-amine
PubChem CID18975538
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-[2-[4-(1H-imidazol-2-yl)phenyl]ethyl]pentan-1-amine
SMILESCCCCCNCCc1ccc(-c2ncc[nH]2)cc1
InChIInChI=1S/C16H23N3/c1-2-3-4-10-17-11-9-14-5-7-15(8-6-14)16-18-12-13-19-16/h5-8,12-13,17H,2-4,9-11H2,1H3,(H,18,19)
InChIKeyXJQLNKIMQNJUBV-UHFFFAOYSA-N
XLogP3.40
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-[4-(1H-imidazol-2-yl)phenyl]ethyl]pentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-pyridin-4-ylethyl)heptan-1-amine
CID 60904179
N-[2-(4-fluorophenyl)ethyl]heptan-1-amine
CID 43129180
4-[2-(pentylamino)ethyl]phenol
CID 61236551
4-[2-(octylamino)ethyl]aniline
CID 113337418
N-(2-phenylethyl)undecan-1-amine
CID 141108004
N-[2-(4-pyridin-3-ylphenyl)ethyl]butan-1-amine
CID 54332382
N-[2-(4-methoxyphenyl)ethyl]heptan-1-amine
CID 43089137
2-(16-nonadecyl-3,11,19-trithiapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaen-6-yl)-1H-imidazole
CID 90049106
N-[2-(4-piperidin-4-ylphenyl)ethyl]pentan-1-amine
CID 143637882
3-[4-[2-(heptylamino)ethyl]phenyl]-2,2-dimethylpropanoic acid
CID 23431223
N-butyl-N'-(2-phenylethyl)ethane-1,2-diamine
CID 54806957
N-[2-(4-propylphenoxy)ethyl]pentan-1-amine
CID 63515764

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(1H-imidazol-2-yl)phenyl]ethyl]pentan-1-amine?
The IUPAC name of N-[2-[4-(1H-imidazol-2-yl)phenyl]ethyl]pentan-1-amine (CID 18975538) is N-[2-[4-(1H-imidazol-2-yl)phenyl]ethyl]pentan-1-amine.
What is the SMILES notation for N-[2-[4-(1H-imidazol-2-yl)phenyl]ethyl]pentan-1-amine?
The canonical SMILES for N-[2-[4-(1H-imidazol-2-yl)phenyl]ethyl]pentan-1-amine is CCCCCNCCc1ccc(-c2ncc[nH]2)cc1.
What is the InChIKey of N-[2-[4-(1H-imidazol-2-yl)phenyl]ethyl]pentan-1-amine?
The InChIKey is XJQLNKIMQNJUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-2-3-4-10-17-11-9-14-5-7-15(8-6-14)16-18-12-13-19-16/h5-8,12-13,17H,2-4,9-11H2,1H3,(H,18,19).
What are the key properties of N-[2-[4-(1H-imidazol-2-yl)phenyl]ethyl]pentan-1-amine?
N-[2-[4-(1H-imidazol-2-yl)phenyl]ethyl]pentan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(1H-imidazol-2-yl)phenyl]ethyl]pentan-1-amine is sourced from PubChem (CID 18975538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).