N-[(3-butyl-1,2,4-triazol-1-yl)methyl]-N-pentylpentan-1-amine

C17H34N4 — CID 159936567

IUPACN-[(3-butyl-1,2,4-triazol-1-yl)methyl]-N-pentylpentan-1-amine
SMILESCCCCCN(CCCCC)Cn1cnc(CCCC)n1
InChIInChI=1S/C17H34N4/c1-4-7-10-13-20(14-11-8-5-2)16-21-15-18-17(19-21)12-9-6-3/h15H,4-14,16H2,1-3H3
InChIKeyOAIBYJLAZADIBP-UHFFFAOYSA-N
MW294.49 g/mol
LogP4.26
Rot. Bonds13

About N-[(3-butyl-1,2,4-triazol-1-yl)methyl]-N-pentylpentan-1-amine

N-[(3-butyl-1,2,4-triazol-1-yl)methyl]-N-pentylpentan-1-amine (PubChem CID 159936567) has the molecular formula C17H34N4 and a molecular weight of 294.49 g/mol. Its IUPAC name is N-[(3-butyl-1,2,4-triazol-1-yl)methyl]-N-pentylpentan-1-amine.

Molecular Properties

Compound NameN-[(3-butyl-1,2,4-triazol-1-yl)methyl]-N-pentylpentan-1-amine
PubChem CID159936567
Molecular FormulaC17H34N4
Molecular Weight294.49 g/mol
Exact Mass294.28
IUPAC NameN-[(3-butyl-1,2,4-triazol-1-yl)methyl]-N-pentylpentan-1-amine
SMILESCCCCCN(CCCCC)Cn1cnc(CCCC)n1
InChIInChI=1S/C17H34N4/c1-4-7-10-13-20(14-11-8-5-2)16-21-15-18-17(19-21)12-9-6-3/h15H,4-14,16H2,1-3H3
InChIKeyOAIBYJLAZADIBP-UHFFFAOYSA-N
XLogP4.26
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.49
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-butyl-1-chloro-1,2,4-triazole
CID 169084532
N-octadecyl-N-(1,2,4-triazol-1-ylmethyl)octadecan-1-amine
CID 139658583
N-octyl-N-(pyrazol-1-ylmethyl)octan-1-amine
CID 3825280
3-dodecyl-1-[(4-ethenylphenyl)methyl]-1,2,4-triazole
CID 172619669
(1-octyl-1,2,4-triazol-3-yl)methanol
CID 156537747
3-butyl-1,2,4-triazole-1-carboxamide
CID 150268150
4-(3-butyl-1,2,4-triazol-1-yl)-N,N-dimethylaniline
CID 141055076
N,N-bis[3-(2-methyl-1H-imidazol-5-yl)propyl]pentan-1-amine
CID 140833499
2-nonylpyrimidine
CID 23297050
N-butyl-N-ethylbutan-1-amine;N-ethyl-N-pentylpentan-1-amine
CID 160957267
N,N-dipentylpentan-1-amine;hydrate
CID 156801056
N,N-dihexyloctan-1-amine
CID 21418080

Frequently Asked Questions

What is the IUPAC name of N-[(3-butyl-1,2,4-triazol-1-yl)methyl]-N-pentylpentan-1-amine?
The IUPAC name of N-[(3-butyl-1,2,4-triazol-1-yl)methyl]-N-pentylpentan-1-amine (CID 159936567) is N-[(3-butyl-1,2,4-triazol-1-yl)methyl]-N-pentylpentan-1-amine.
What is the SMILES notation for N-[(3-butyl-1,2,4-triazol-1-yl)methyl]-N-pentylpentan-1-amine?
The canonical SMILES for N-[(3-butyl-1,2,4-triazol-1-yl)methyl]-N-pentylpentan-1-amine is CCCCCN(CCCCC)Cn1cnc(CCCC)n1.
What is the InChIKey of N-[(3-butyl-1,2,4-triazol-1-yl)methyl]-N-pentylpentan-1-amine?
The InChIKey is OAIBYJLAZADIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4/c1-4-7-10-13-20(14-11-8-5-2)16-21-15-18-17(19-21)12-9-6-3/h15H,4-14,16H2,1-3H3.
What are the key properties of N-[(3-butyl-1,2,4-triazol-1-yl)methyl]-N-pentylpentan-1-amine?
N-[(3-butyl-1,2,4-triazol-1-yl)methyl]-N-pentylpentan-1-amine has a molecular weight of 294.49 g/mol, XLogP of 4.26, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-butyl-1,2,4-triazol-1-yl)methyl]-N-pentylpentan-1-amine is sourced from PubChem (CID 159936567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).