2,3-dimethyl-N-(2-methylpropyl)-4-(2-propyl-1,2,4-triazol-3-yl)butan-1-amine

C15H30N4 — CID 81017156

IUPAC2,3-dimethyl-N-(2-methylpropyl)-4-(2-propyl-1,2,4-triazol-3-yl)butan-1-amine
SMILESCCCn1ncnc1CC(C)C(C)CNCC(C)C
InChIInChI=1S/C15H30N4/c1-6-7-19-15(17-11-18-19)8-13(4)14(5)10-16-9-12(2)3/h11-14,16H,6-10H2,1-5H3
InChIKeyWLZUFNPQYVFCEZ-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.75
Rot. Bonds9

About 2,3-dimethyl-N-(2-methylpropyl)-4-(2-propyl-1,2,4-triazol-3-yl)butan-1-amine

2,3-dimethyl-N-(2-methylpropyl)-4-(2-propyl-1,2,4-triazol-3-yl)butan-1-amine (PubChem CID 81017156) has the molecular formula C15H30N4 and a molecular weight of 266.43 g/mol. Its IUPAC name is 2,3-dimethyl-N-(2-methylpropyl)-4-(2-propyl-1,2,4-triazol-3-yl)butan-1-amine.

Molecular Properties

Compound Name2,3-dimethyl-N-(2-methylpropyl)-4-(2-propyl-1,2,4-triazol-3-yl)butan-1-amine
PubChem CID81017156
Molecular FormulaC15H30N4
Molecular Weight266.43 g/mol
Exact Mass266.25
IUPAC Name2,3-dimethyl-N-(2-methylpropyl)-4-(2-propyl-1,2,4-triazol-3-yl)butan-1-amine
SMILESCCCn1ncnc1CC(C)C(C)CNCC(C)C
InChIInChI=1S/C15H30N4/c1-6-7-19-15(17-11-18-19)8-13(4)14(5)10-16-9-12(2)3/h11-14,16H,6-10H2,1-5H3
InChIKeyWLZUFNPQYVFCEZ-UHFFFAOYSA-N
XLogP2.75
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-ethyl-1,2,4-triazol-3-yl)-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 81017782
N-ethyl-2,3-dimethyl-4-(2-methyl-1,2,4-triazol-3-yl)butan-1-amine
CID 81015585
N,3,4-trimethyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-amine
CID 105003061
3,4-dimethyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-ol
CID 115816529
2-methoxy-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]propan-1-amine
CID 102698035
2-methyl-N-[[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 106720070
2-methyl-N-(2-methylpropyl)-2-[(2-propyl-1,2,4-triazol-3-yl)methyl]but-3-en-1-amine
CID 102641469
2,2-difluoro-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 115406742
3,3-dimethyl-2-[(2-propyl-1,2,4-triazol-3-yl)methyl]butan-1-amine
CID 83138306
2-methyl-N-[[2-(2-propylsulfonylethyl)-1,2,4-triazol-3-yl]methyl]propan-1-amine
CID 106730602
N-propan-2-yl-1-(2-propyl-1,2,4-triazol-3-yl)hexan-2-amine
CID 79411663
5-[2-(chloromethyl)butyl]-1-propyl-1,2,4-triazole
CID 66034116

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-(2-methylpropyl)-4-(2-propyl-1,2,4-triazol-3-yl)butan-1-amine?
The IUPAC name of 2,3-dimethyl-N-(2-methylpropyl)-4-(2-propyl-1,2,4-triazol-3-yl)butan-1-amine (CID 81017156) is 2,3-dimethyl-N-(2-methylpropyl)-4-(2-propyl-1,2,4-triazol-3-yl)butan-1-amine.
What is the SMILES notation for 2,3-dimethyl-N-(2-methylpropyl)-4-(2-propyl-1,2,4-triazol-3-yl)butan-1-amine?
The canonical SMILES for 2,3-dimethyl-N-(2-methylpropyl)-4-(2-propyl-1,2,4-triazol-3-yl)butan-1-amine is CCCn1ncnc1CC(C)C(C)CNCC(C)C.
What is the InChIKey of 2,3-dimethyl-N-(2-methylpropyl)-4-(2-propyl-1,2,4-triazol-3-yl)butan-1-amine?
The InChIKey is WLZUFNPQYVFCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4/c1-6-7-19-15(17-11-18-19)8-13(4)14(5)10-16-9-12(2)3/h11-14,16H,6-10H2,1-5H3.
What are the key properties of 2,3-dimethyl-N-(2-methylpropyl)-4-(2-propyl-1,2,4-triazol-3-yl)butan-1-amine?
2,3-dimethyl-N-(2-methylpropyl)-4-(2-propyl-1,2,4-triazol-3-yl)butan-1-amine has a molecular weight of 266.43 g/mol, XLogP of 2.75, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-(2-methylpropyl)-4-(2-propyl-1,2,4-triazol-3-yl)butan-1-amine is sourced from PubChem (CID 81017156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).