4,4-dimethyl-3-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]pentan-1-ol

C14H28N4O — CID 104627997

IUPAC4,4-dimethyl-3-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]pentan-1-ol
SMILESCC(C)Cn1ncnc1CNC(CCO)C(C)(C)C
InChIInChI=1S/C14H28N4O/c1-11(2)9-18-13(16-10-17-18)8-15-12(6-7-19)14(3,4)5/h10-12,15,19H,6-9H2,1-5H3
InChIKeySWGKNAOFIWWUAA-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.82
Rot. Bonds7

About 4,4-dimethyl-3-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]pentan-1-ol

4,4-dimethyl-3-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]pentan-1-ol (PubChem CID 104627997) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is 4,4-dimethyl-3-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]pentan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-3-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]pentan-1-ol
PubChem CID104627997
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC Name4,4-dimethyl-3-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]pentan-1-ol
SMILESCC(C)Cn1ncnc1CNC(CCO)C(C)(C)C
InChIInChI=1S/C14H28N4O/c1-11(2)9-18-13(16-10-17-18)8-15-12(6-7-19)14(3,4)5/h10-12,15,19H,6-9H2,1-5H3
InChIKeySWGKNAOFIWWUAA-UHFFFAOYSA-N
XLogP1.82
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4,4-dimethyl-3-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]pentan-1-ol with MolForge

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Related Compounds

(2S)-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]propanoic acid
CID 83195321
3-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]-2-methylsulfanylbutan-1-ol
CID 106160760
2-methyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]-3-methylsulfanylpropan-2-ol
CID 106247179
5-(2,2-dimethylpropyl)-1-(2-methylpropyl)-1,2,4-triazole
CID 58157944
2-methyl-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pentan-2-amine
CID 115970075
5-hydroxy-3-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pentan-2-one
CID 103343846
(1R)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-1-pyridin-4-ylethanamine
CID 81409705
(1R)-1-(4-chlorophenyl)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]ethanamine
CID 81353293
3,3,3-trifluoro-2-methyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]propanoic acid
CID 79789679
2-[3-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]propoxy]ethanol
CID 106309909
N-ethyl-N-methyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]propanamide
CID 103108669
2-methyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-1-ol
CID 66059154

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]pentan-1-ol?
The IUPAC name of 4,4-dimethyl-3-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]pentan-1-ol (CID 104627997) is 4,4-dimethyl-3-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]pentan-1-ol.
What is the SMILES notation for 4,4-dimethyl-3-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]pentan-1-ol?
The canonical SMILES for 4,4-dimethyl-3-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]pentan-1-ol is CC(C)Cn1ncnc1CNC(CCO)C(C)(C)C.
What is the InChIKey of 4,4-dimethyl-3-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]pentan-1-ol?
The InChIKey is SWGKNAOFIWWUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c1-11(2)9-18-13(16-10-17-18)8-15-12(6-7-19)14(3,4)5/h10-12,15,19H,6-9H2,1-5H3.
What are the key properties of 4,4-dimethyl-3-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]pentan-1-ol?
4,4-dimethyl-3-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]pentan-1-ol has a molecular weight of 268.40 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]pentan-1-ol is sourced from PubChem (CID 104627997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).