1-(3-methyltriazol-4-yl)-N-propylheptan-1-amine

C13H26N4 — CID 105043647

IUPAC1-(3-methyltriazol-4-yl)-N-propylheptan-1-amine
SMILESCCCCCCC(NCCC)c1cnnn1C
InChIInChI=1S/C13H26N4/c1-4-6-7-8-9-12(14-10-5-2)13-11-15-16-17(13)3/h11-12,14H,4-10H2,1-3H3
InChIKeyWOLDTOKHQZVCMH-UHFFFAOYSA-N
MW238.38 g/mol
LogP2.83
Rot. Bonds9

About 1-(3-methyltriazol-4-yl)-N-propylheptan-1-amine

1-(3-methyltriazol-4-yl)-N-propylheptan-1-amine (PubChem CID 105043647) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is 1-(3-methyltriazol-4-yl)-N-propylheptan-1-amine.

Molecular Properties

Compound Name1-(3-methyltriazol-4-yl)-N-propylheptan-1-amine
PubChem CID105043647
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC Name1-(3-methyltriazol-4-yl)-N-propylheptan-1-amine
SMILESCCCCCCC(NCCC)c1cnnn1C
InChIInChI=1S/C13H26N4/c1-4-6-7-8-9-12(14-10-5-2)13-11-15-16-17(13)3/h11-12,14H,4-10H2,1-3H3
InChIKeyWOLDTOKHQZVCMH-UHFFFAOYSA-N
XLogP2.83
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methyltriazol-4-yl)-N-propylbutan-1-amine
CID 114687206
1-(3-methyltriazol-4-yl)dodecylhydrazine
CID 105337498
1-(3-methyltriazol-4-yl)hexylhydrazine
CID 105337497
N',N'-dimethyl-1-(3-methyltriazol-4-yl)-N-propylpropane-1,3-diamine
CID 114688885
3-methyl-1-(3-methyltriazol-4-yl)-N-propylpentan-1-amine
CID 105043705
1-(2-methylpyrazol-3-yl)-N-propyloctan-1-amine
CID 115858544
3-(furan-2-yl)-1-(3-methyltriazol-4-yl)-N-propylpropan-1-amine
CID 105184733
N-[2-(3,5-dimethylphenyl)-1-(3-methyltriazol-4-yl)ethyl]propan-1-amine
CID 114687519
N-[2-(4-methylphenyl)-1-(3-methyltriazol-4-yl)ethyl]propan-1-amine
CID 114687476
1-(2-methylpyrazol-3-yl)-N-propylpentan-1-amine
CID 79411759
1-(4-methoxy-1-methylpyrazol-5-yl)-N-propyloctan-1-amine
CID 105047055
N-propyl-1-(thiadiazol-5-yl)undecan-1-amine
CID 105138198

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyltriazol-4-yl)-N-propylheptan-1-amine?
The IUPAC name of 1-(3-methyltriazol-4-yl)-N-propylheptan-1-amine (CID 105043647) is 1-(3-methyltriazol-4-yl)-N-propylheptan-1-amine.
What is the SMILES notation for 1-(3-methyltriazol-4-yl)-N-propylheptan-1-amine?
The canonical SMILES for 1-(3-methyltriazol-4-yl)-N-propylheptan-1-amine is CCCCCCC(NCCC)c1cnnn1C.
What is the InChIKey of 1-(3-methyltriazol-4-yl)-N-propylheptan-1-amine?
The InChIKey is WOLDTOKHQZVCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-4-6-7-8-9-12(14-10-5-2)13-11-15-16-17(13)3/h11-12,14H,4-10H2,1-3H3.
What are the key properties of 1-(3-methyltriazol-4-yl)-N-propylheptan-1-amine?
1-(3-methyltriazol-4-yl)-N-propylheptan-1-amine has a molecular weight of 238.38 g/mol, XLogP of 2.83, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyltriazol-4-yl)-N-propylheptan-1-amine is sourced from PubChem (CID 105043647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).