2-[(1-methyltriazol-4-yl)methyl]-N-propylpentan-1-amine

C12H24N4 — CID 107052901

IUPAC2-[(1-methyltriazol-4-yl)methyl]-N-propylpentan-1-amine
SMILESCCCNCC(CCC)Cc1cn(C)nn1
InChIInChI=1S/C12H24N4/c1-4-6-11(9-13-7-5-2)8-12-10-16(3)15-14-12/h10-11,13H,4-9H2,1-3H3
InChIKeyNDKTZLBMGCHBLA-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.77
Rot. Bonds8

About 2-[(1-methyltriazol-4-yl)methyl]-N-propylpentan-1-amine

2-[(1-methyltriazol-4-yl)methyl]-N-propylpentan-1-amine (PubChem CID 107052901) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-[(1-methyltriazol-4-yl)methyl]-N-propylpentan-1-amine.

Molecular Properties

Compound Name2-[(1-methyltriazol-4-yl)methyl]-N-propylpentan-1-amine
PubChem CID107052901
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name2-[(1-methyltriazol-4-yl)methyl]-N-propylpentan-1-amine
SMILESCCCNCC(CCC)Cc1cn(C)nn1
InChIInChI=1S/C12H24N4/c1-4-6-11(9-13-7-5-2)8-12-10-16(3)15-14-12/h10-11,13H,4-9H2,1-3H3
InChIKeyNDKTZLBMGCHBLA-UHFFFAOYSA-N
XLogP1.77
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.77
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

2-benzyl-3-(1-methyltriazol-4-yl)-N-propylpropan-1-amine
CID 107052862
4-[2-(bromomethyl)pentyl]-1-methyltriazole
CID 107058112
2-(2-chloroethyl)-N-[(1-methyltriazol-4-yl)methyl]pentan-1-amine
CID 106117057
2-(4-chlorophenyl)-3-(1-methyltriazol-4-yl)-N-propylpropan-1-amine
CID 107053398
2-(4-fluorophenyl)-3-(1-methyltriazol-4-yl)-N-propylpropan-1-amine
CID 107053400
1-(1-methyltriazol-4-yl)pentan-2-ol
CID 107045999
2-(2-bromophenyl)-3-(1-methyltriazol-4-yl)-N-propylpropan-1-amine
CID 107053492
4-(1-methyltriazol-4-yl)-2-phenyl-N-propylbutan-1-amine
CID 107059234
3-(1-methyltriazol-4-yl)-N-propylpropan-1-amine
CID 107052835
5-methyl-1-(1-methyltriazol-4-yl)-N-propylhexan-2-amine
CID 107048801
4-(1-methyltriazol-4-yl)-N-propylbutan-1-amine
CID 107054853
1-(1-methyltriazol-4-yl)hexan-2-ol
CID 107046013

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyltriazol-4-yl)methyl]-N-propylpentan-1-amine?
The IUPAC name of 2-[(1-methyltriazol-4-yl)methyl]-N-propylpentan-1-amine (CID 107052901) is 2-[(1-methyltriazol-4-yl)methyl]-N-propylpentan-1-amine.
What is the SMILES notation for 2-[(1-methyltriazol-4-yl)methyl]-N-propylpentan-1-amine?
The canonical SMILES for 2-[(1-methyltriazol-4-yl)methyl]-N-propylpentan-1-amine is CCCNCC(CCC)Cc1cn(C)nn1.
What is the InChIKey of 2-[(1-methyltriazol-4-yl)methyl]-N-propylpentan-1-amine?
The InChIKey is NDKTZLBMGCHBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-4-6-11(9-13-7-5-2)8-12-10-16(3)15-14-12/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 2-[(1-methyltriazol-4-yl)methyl]-N-propylpentan-1-amine?
2-[(1-methyltriazol-4-yl)methyl]-N-propylpentan-1-amine has a molecular weight of 224.35 g/mol, XLogP of 1.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyltriazol-4-yl)methyl]-N-propylpentan-1-amine is sourced from PubChem (CID 107052901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).