1-(dimethylamino)-2-methyl-3-[(1-methyltetrazol-5-yl)amino]propan-2-ol

C8H18N6O — CID 103837814

IUPAC1-(dimethylamino)-2-methyl-3-[(1-methyltetrazol-5-yl)amino]propan-2-ol
SMILESCN(C)CC(C)(O)CNc1nnnn1C
InChIInChI=1S/C8H18N6O/c1-8(15,6-13(2)3)5-9-7-10-11-12-14(7)4/h15H,5-6H2,1-4H3,(H,9,10,12)
InChIKeyCMFHXLLQALVYED-UHFFFAOYSA-N
MW214.27 g/mol
LogP-1.07
Rot. Bonds5

About 1-(dimethylamino)-2-methyl-3-[(1-methyltetrazol-5-yl)amino]propan-2-ol

1-(dimethylamino)-2-methyl-3-[(1-methyltetrazol-5-yl)amino]propan-2-ol (PubChem CID 103837814) has the molecular formula C8H18N6O and a molecular weight of 214.27 g/mol. Its IUPAC name is 1-(dimethylamino)-2-methyl-3-[(1-methyltetrazol-5-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-2-methyl-3-[(1-methyltetrazol-5-yl)amino]propan-2-ol
PubChem CID103837814
Molecular FormulaC8H18N6O
Molecular Weight214.27 g/mol
Exact Mass214.15
IUPAC Name1-(dimethylamino)-2-methyl-3-[(1-methyltetrazol-5-yl)amino]propan-2-ol
SMILESCN(C)CC(C)(O)CNc1nnnn1C
InChIInChI=1S/C8H18N6O/c1-8(15,6-13(2)3)5-9-7-10-11-12-14(7)4/h15H,5-6H2,1-4H3,(H,9,10,12)
InChIKeyCMFHXLLQALVYED-UHFFFAOYSA-N
XLogP-1.07
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-2-methyl-3-[(1-methyltetrazol-5-yl)amino]propan-2-ol?
The IUPAC name of 1-(dimethylamino)-2-methyl-3-[(1-methyltetrazol-5-yl)amino]propan-2-ol (CID 103837814) is 1-(dimethylamino)-2-methyl-3-[(1-methyltetrazol-5-yl)amino]propan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-2-methyl-3-[(1-methyltetrazol-5-yl)amino]propan-2-ol?
The canonical SMILES for 1-(dimethylamino)-2-methyl-3-[(1-methyltetrazol-5-yl)amino]propan-2-ol is CN(C)CC(C)(O)CNc1nnnn1C.
What is the InChIKey of 1-(dimethylamino)-2-methyl-3-[(1-methyltetrazol-5-yl)amino]propan-2-ol?
The InChIKey is CMFHXLLQALVYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N6O/c1-8(15,6-13(2)3)5-9-7-10-11-12-14(7)4/h15H,5-6H2,1-4H3,(H,9,10,12).
What are the key properties of 1-(dimethylamino)-2-methyl-3-[(1-methyltetrazol-5-yl)amino]propan-2-ol?
1-(dimethylamino)-2-methyl-3-[(1-methyltetrazol-5-yl)amino]propan-2-ol has a molecular weight of 214.27 g/mol, XLogP of -1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-2-methyl-3-[(1-methyltetrazol-5-yl)amino]propan-2-ol is sourced from PubChem (CID 103837814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).