4,4-dimethyl-5-[4-[[methyl(propan-2-yl)amino]methyl]triazol-1-yl]pentan-2-amine;2-methylpropan-1-ol

C18H39N5O — CID 178007618

IUPAC4,4-dimethyl-5-[4-[[methyl(propan-2-yl)amino]methyl]triazol-1-yl]pentan-2-amine;2-methylpropan-1-ol
SMILESCC(C)CO.CC(N)CC(C)(C)Cn1cc(CN(C)C(C)C)nn1
InChIInChI=1S/C14H29N5.C4H10O/c1-11(2)18(6)8-13-9-19(17-16-13)10-14(4,5)7-12(3)15;1-4(2)3-5/h9,11-12H,7-8,10,15H2,1-6H3;4-5H,3H2,1-2H3
InChIKeyMIWGQELLHTYRSF-UHFFFAOYSA-N
MW341.54 g/mol
LogP2.52
Rot. Bonds8

About 4,4-dimethyl-5-[4-[[methyl(propan-2-yl)amino]methyl]triazol-1-yl]pentan-2-amine;2-methylpropan-1-ol

4,4-dimethyl-5-[4-[[methyl(propan-2-yl)amino]methyl]triazol-1-yl]pentan-2-amine;2-methylpropan-1-ol (PubChem CID 178007618) has the molecular formula C18H39N5O and a molecular weight of 341.54 g/mol. Its IUPAC name is 4,4-dimethyl-5-[4-[[methyl(propan-2-yl)amino]methyl]triazol-1-yl]pentan-2-amine;2-methylpropan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-5-[4-[[methyl(propan-2-yl)amino]methyl]triazol-1-yl]pentan-2-amine;2-methylpropan-1-ol
PubChem CID178007618
Molecular FormulaC18H39N5O
Molecular Weight341.54 g/mol
Exact Mass341.32
IUPAC Name4,4-dimethyl-5-[4-[[methyl(propan-2-yl)amino]methyl]triazol-1-yl]pentan-2-amine;2-methylpropan-1-ol
SMILESCC(C)CO.CC(N)CC(C)(C)Cn1cc(CN(C)C(C)C)nn1
InChIInChI=1S/C14H29N5.C4H10O/c1-11(2)18(6)8-13-9-19(17-16-13)10-14(4,5)7-12(3)15;1-4(2)3-5/h9,11-12H,7-8,10,15H2,1-6H3;4-5H,3H2,1-2H3
InChIKeyMIWGQELLHTYRSF-UHFFFAOYSA-N
XLogP2.52
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.54
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-5-[4-[[methyl(propan-2-yl)amino]methyl]triazol-1-yl]pentan-2-amine;2-methylpropan-1-ol?
The IUPAC name of 4,4-dimethyl-5-[4-[[methyl(propan-2-yl)amino]methyl]triazol-1-yl]pentan-2-amine;2-methylpropan-1-ol (CID 178007618) is 4,4-dimethyl-5-[4-[[methyl(propan-2-yl)amino]methyl]triazol-1-yl]pentan-2-amine;2-methylpropan-1-ol.
What is the SMILES notation for 4,4-dimethyl-5-[4-[[methyl(propan-2-yl)amino]methyl]triazol-1-yl]pentan-2-amine;2-methylpropan-1-ol?
The canonical SMILES for 4,4-dimethyl-5-[4-[[methyl(propan-2-yl)amino]methyl]triazol-1-yl]pentan-2-amine;2-methylpropan-1-ol is CC(C)CO.CC(N)CC(C)(C)Cn1cc(CN(C)C(C)C)nn1.
What is the InChIKey of 4,4-dimethyl-5-[4-[[methyl(propan-2-yl)amino]methyl]triazol-1-yl]pentan-2-amine;2-methylpropan-1-ol?
The InChIKey is MIWGQELLHTYRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N5.C4H10O/c1-11(2)18(6)8-13-9-19(17-16-13)10-14(4,5)7-12(3)15;1-4(2)3-5/h9,11-12H,7-8,10,15H2,1-6H3;4-5H,3H2,1-2H3.
What are the key properties of 4,4-dimethyl-5-[4-[[methyl(propan-2-yl)amino]methyl]triazol-1-yl]pentan-2-amine;2-methylpropan-1-ol?
4,4-dimethyl-5-[4-[[methyl(propan-2-yl)amino]methyl]triazol-1-yl]pentan-2-amine;2-methylpropan-1-ol has a molecular weight of 341.54 g/mol, XLogP of 2.52, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-5-[4-[[methyl(propan-2-yl)amino]methyl]triazol-1-yl]pentan-2-amine;2-methylpropan-1-ol is sourced from PubChem (CID 178007618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).