N-[(2-cyclobutylphenyl)-(2H-triazol-4-yl)methyl]propan-1-amine

C16H22N4 — CID 114604169

IUPACN-[(2-cyclobutylphenyl)-(2H-triazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cn[nH]n1)c1ccccc1C1CCC1
InChIInChI=1S/C16H22N4/c1-2-10-17-16(15-11-18-20-19-15)14-9-4-3-8-13(14)12-6-5-7-12/h3-4,8-9,11-12,16-17H,2,5-7,10H2,1H3,(H,18,19,20)
InChIKeyNSYRNUIAPYITMN-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.16
Rot. Bonds6

About N-[(2-cyclobutylphenyl)-(2H-triazol-4-yl)methyl]propan-1-amine

N-[(2-cyclobutylphenyl)-(2H-triazol-4-yl)methyl]propan-1-amine (PubChem CID 114604169) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[(2-cyclobutylphenyl)-(2H-triazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-cyclobutylphenyl)-(2H-triazol-4-yl)methyl]propan-1-amine
PubChem CID114604169
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC NameN-[(2-cyclobutylphenyl)-(2H-triazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cn[nH]n1)c1ccccc1C1CCC1
InChIInChI=1S/C16H22N4/c1-2-10-17-16(15-11-18-20-19-15)14-9-4-3-8-13(14)12-6-5-7-12/h3-4,8-9,11-12,16-17H,2,5-7,10H2,1H3,(H,18,19,20)
InChIKeyNSYRNUIAPYITMN-UHFFFAOYSA-N
XLogP3.16
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2-cyclobutylphenyl)-(2H-triazol-4-yl)methyl]propan-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-cyclobutylphenyl)-(furan-2-yl)methyl]propan-1-amine
CID 114602898
1-(2-cyclobutylphenyl)-2-methoxy-N-propylpropan-1-amine
CID 114603922
N-[1-(2-cyclobutylphenyl)-2-cyclopropylethyl]propan-1-amine
CID 114604144
N-[(3-cyclopropyloxyphenyl)-(2H-triazol-4-yl)methyl]propan-1-amine
CID 114521996
N-[(2-cyclobutylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine
CID 114603534
N-[(2-cyclobutylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107191403
N-[3-bicyclo[3.1.0]hexanyl-(2-cyclobutylphenyl)methyl]propan-1-amine
CID 105052171
1-(2-cyclobutylphenyl)-N-propylheptan-1-amine
CID 105052307
N-[(4-cyclobutylphenyl)-(2H-triazol-4-yl)methyl]ethanamine
CID 116506363
N-[2-(3,4-dihydro-2H-chromen-4-yl)-1-(2H-triazol-4-yl)ethyl]propan-1-amine
CID 104770542
N-[2H-triazol-4-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine
CID 102708411
2-(2-cyclopropylphenyl)-2-(propylamino)acetonitrile
CID 79983003

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclobutylphenyl)-(2H-triazol-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2-cyclobutylphenyl)-(2H-triazol-4-yl)methyl]propan-1-amine (CID 114604169) is N-[(2-cyclobutylphenyl)-(2H-triazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-cyclobutylphenyl)-(2H-triazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-cyclobutylphenyl)-(2H-triazol-4-yl)methyl]propan-1-amine is CCCNC(c1cn[nH]n1)c1ccccc1C1CCC1.
What is the InChIKey of N-[(2-cyclobutylphenyl)-(2H-triazol-4-yl)methyl]propan-1-amine?
The InChIKey is NSYRNUIAPYITMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-2-10-17-16(15-11-18-20-19-15)14-9-4-3-8-13(14)12-6-5-7-12/h3-4,8-9,11-12,16-17H,2,5-7,10H2,1H3,(H,18,19,20).
What are the key properties of N-[(2-cyclobutylphenyl)-(2H-triazol-4-yl)methyl]propan-1-amine?
N-[(2-cyclobutylphenyl)-(2H-triazol-4-yl)methyl]propan-1-amine has a molecular weight of 270.38 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclobutylphenyl)-(2H-triazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 114604169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).