N-(2-methylpropyl)-6-(1-propyltriazol-4-yl)hexan-1-amine

C15H30N4 — CID 155740981

IUPACN-(2-methylpropyl)-6-(1-propyltriazol-4-yl)hexan-1-amine
SMILESCCCn1cc(CCCCCCNCC(C)C)nn1
InChIInChI=1S/C15H30N4/c1-4-11-19-13-15(17-18-19)9-7-5-6-8-10-16-12-14(2)3/h13-14,16H,4-12H2,1-3H3
InChIKeyFBWQTQQOBOBNBL-UHFFFAOYSA-N
MW266.43 g/mol
LogP3.04
Rot. Bonds11

About N-(2-methylpropyl)-6-(1-propyltriazol-4-yl)hexan-1-amine

N-(2-methylpropyl)-6-(1-propyltriazol-4-yl)hexan-1-amine (PubChem CID 155740981) has the molecular formula C15H30N4 and a molecular weight of 266.43 g/mol. Its IUPAC name is N-(2-methylpropyl)-6-(1-propyltriazol-4-yl)hexan-1-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-6-(1-propyltriazol-4-yl)hexan-1-amine
PubChem CID155740981
Molecular FormulaC15H30N4
Molecular Weight266.43 g/mol
Exact Mass266.25
IUPAC NameN-(2-methylpropyl)-6-(1-propyltriazol-4-yl)hexan-1-amine
SMILESCCCn1cc(CCCCCCNCC(C)C)nn1
InChIInChI=1S/C15H30N4/c1-4-11-19-13-15(17-18-19)9-7-5-6-8-10-16-12-14(2)3/h13-14,16H,4-12H2,1-3H3
InChIKeyFBWQTQQOBOBNBL-UHFFFAOYSA-N
XLogP3.04
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.04
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

N-ethyl-6-[1-(2-methylpropyl)triazol-4-yl]hexan-1-amine
CID 155740464
1,4-dioctyltriazole
CID 22628762
4-heptyl-1-octyltriazole
CID 146568784
1-(2-methylpropyl)-4-octyltriazole
CID 163401173
4-(2-methylpropyl)-1-propyltriazole
CID 89029688
4-(1-heptyltriazol-4-yl)butan-1-amine
CID 104539279
4-(1-hexyltriazol-4-yl)butan-1-amine
CID 104539137
1-heptyl-4-(3-methylbutyl)triazole
CID 68683945
4-(1-nonyltriazol-4-yl)butan-1-amine
CID 104539136
2-[4-[(7-methyloctylamino)methyl]triazol-1-yl]ethanol
CID 66270359
2-(4-heptyltriazol-1-yl)ethanethiol
CID 130281012
4-(1-methyltriazol-4-yl)-N-propylbutan-1-amine
CID 107054853

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-6-(1-propyltriazol-4-yl)hexan-1-amine?
The IUPAC name of N-(2-methylpropyl)-6-(1-propyltriazol-4-yl)hexan-1-amine (CID 155740981) is N-(2-methylpropyl)-6-(1-propyltriazol-4-yl)hexan-1-amine.
What is the SMILES notation for N-(2-methylpropyl)-6-(1-propyltriazol-4-yl)hexan-1-amine?
The canonical SMILES for N-(2-methylpropyl)-6-(1-propyltriazol-4-yl)hexan-1-amine is CCCn1cc(CCCCCCNCC(C)C)nn1.
What is the InChIKey of N-(2-methylpropyl)-6-(1-propyltriazol-4-yl)hexan-1-amine?
The InChIKey is FBWQTQQOBOBNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4/c1-4-11-19-13-15(17-18-19)9-7-5-6-8-10-16-12-14(2)3/h13-14,16H,4-12H2,1-3H3.
What are the key properties of N-(2-methylpropyl)-6-(1-propyltriazol-4-yl)hexan-1-amine?
N-(2-methylpropyl)-6-(1-propyltriazol-4-yl)hexan-1-amine has a molecular weight of 266.43 g/mol, XLogP of 3.04, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-6-(1-propyltriazol-4-yl)hexan-1-amine is sourced from PubChem (CID 155740981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).