(1R)-2,2-dimethyl-1-(2H-tetrazol-5-yl)propan-1-amine;hydrochloride

C6H14ClN5 — CID 171157465

IUPAC(1R)-2,2-dimethyl-1-(2H-tetrazol-5-yl)propan-1-amine;hydrochloride
SMILESCC(C)(C)[C@@H](N)c1nn[nH]n1.Cl
InChIInChI=1S/C6H13N5.ClH/c1-6(2,3)4(7)5-8-10-11-9-5;/h4H,7H2,1-3H3,(H,8,9,10,11);1H/t4-;/m0./s1
InChIKeyKCFIORMTWFHGTJ-WCCKRBBISA-N
MW191.67 g/mol
LogP0.67
Rot. Bonds1

About (1R)-2,2-dimethyl-1-(2H-tetrazol-5-yl)propan-1-amine;hydrochloride

(1R)-2,2-dimethyl-1-(2H-tetrazol-5-yl)propan-1-amine;hydrochloride (PubChem CID 171157465) has the molecular formula C6H14ClN5 and a molecular weight of 191.67 g/mol. Its IUPAC name is (1R)-2,2-dimethyl-1-(2H-tetrazol-5-yl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-2,2-dimethyl-1-(2H-tetrazol-5-yl)propan-1-amine;hydrochloride
PubChem CID171157465
Molecular FormulaC6H14ClN5
Molecular Weight191.67 g/mol
Exact Mass191.09
IUPAC Name(1R)-2,2-dimethyl-1-(2H-tetrazol-5-yl)propan-1-amine;hydrochloride
SMILESCC(C)(C)[C@@H](N)c1nn[nH]n1.Cl
InChIInChI=1S/C6H13N5.ClH/c1-6(2,3)4(7)5-8-10-11-9-5;/h4H,7H2,1-3H3,(H,8,9,10,11);1H/t4-;/m0./s1
InChIKeyKCFIORMTWFHGTJ-WCCKRBBISA-N
XLogP0.67
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.67
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-dimethyl-1-(2H-tetrazol-5-yl)propan-1-amine;hydrochloride?
The IUPAC name of (1R)-2,2-dimethyl-1-(2H-tetrazol-5-yl)propan-1-amine;hydrochloride (CID 171157465) is (1R)-2,2-dimethyl-1-(2H-tetrazol-5-yl)propan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-2,2-dimethyl-1-(2H-tetrazol-5-yl)propan-1-amine;hydrochloride?
The canonical SMILES for (1R)-2,2-dimethyl-1-(2H-tetrazol-5-yl)propan-1-amine;hydrochloride is CC(C)(C)[C@@H](N)c1nn[nH]n1.Cl.
What is the InChIKey of (1R)-2,2-dimethyl-1-(2H-tetrazol-5-yl)propan-1-amine;hydrochloride?
The InChIKey is KCFIORMTWFHGTJ-WCCKRBBISA-N. The full InChI is InChI=1S/C6H13N5.ClH/c1-6(2,3)4(7)5-8-10-11-9-5;/h4H,7H2,1-3H3,(H,8,9,10,11);1H/t4-;/m0./s1.
What are the key properties of (1R)-2,2-dimethyl-1-(2H-tetrazol-5-yl)propan-1-amine;hydrochloride?
(1R)-2,2-dimethyl-1-(2H-tetrazol-5-yl)propan-1-amine;hydrochloride has a molecular weight of 191.67 g/mol, XLogP of 0.67, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-dimethyl-1-(2H-tetrazol-5-yl)propan-1-amine;hydrochloride is sourced from PubChem (CID 171157465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).