N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride

C16H25ClN6O — CID 119657176

IUPACN-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride
SMILESCC(C(=O)N(C)CC(C)(C)CN)n1nnc(-c2ccccc2)n1.Cl
InChIInChI=1S/C16H24N6O.ClH/c1-12(15(23)21(4)11-16(2,3)10-17)22-19-14(18-20-22)13-8-6-5-7-9-13;/h5-9,12H,10-11,17H2,1-4H3;1H
InChIKeyXPQHASCNCWMNGU-UHFFFAOYSA-N
MW352.87 g/mol
LogP1.77
Rot. Bonds6

About N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride

N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride (PubChem CID 119657176) has the molecular formula C16H25ClN6O and a molecular weight of 352.87 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride
PubChem CID119657176
Molecular FormulaC16H25ClN6O
Molecular Weight352.87 g/mol
Exact Mass352.18
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride
SMILESCC(C(=O)N(C)CC(C)(C)CN)n1nnc(-c2ccccc2)n1.Cl
InChIInChI=1S/C16H24N6O.ClH/c1-12(15(23)21(4)11-16(2,3)10-17)22-19-14(18-20-22)13-8-6-5-7-9-13;/h5-9,12H,10-11,17H2,1-4H3;1H
InChIKeyXPQHASCNCWMNGU-UHFFFAOYSA-N
XLogP1.77
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(5-phenyltetrazol-2-yl)propanamide
CID 109399686
(2R)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(5-phenyltetrazol-2-yl)propanamide
CID 96561738
N-(2-amino-2-ethylbutyl)-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride
CID 119644028
N-(1-amino-4-methylpentan-2-yl)-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride
CID 119588881
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenylpropanamide
CID 114028856
2-[methyl-[3-methyl-2-(5-phenyltetrazol-2-yl)butanoyl]amino]acetic acid
CID 119346239
(2S)-N-methyl-N-phenyl-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]propanamide
CID 7588870
N-[2-(methylamino)ethyl]-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride
CID 119504464
2,2-dimethyl-3-[2-(5-phenyltetrazol-2-yl)propanoylamino]propanoic acid
CID 119250098
2-methyl-3-(5-phenyltetrazol-2-yl)butan-1-amine
CID 79409199
N-[3-(methylamino)propyl]-2-(5-phenyltetrazol-2-yl)propanamide
CID 119434349
2-(5-phenyltetrazol-2-yl)-N-piperidin-4-yl-N-propylpropanamide
CID 119826421

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride (CID 119657176) is N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride is CC(C(=O)N(C)CC(C)(C)CN)n1nnc(-c2ccccc2)n1.Cl.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride?
The InChIKey is XPQHASCNCWMNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O.ClH/c1-12(15(23)21(4)11-16(2,3)10-17)22-19-14(18-20-22)13-8-6-5-7-9-13;/h5-9,12H,10-11,17H2,1-4H3;1H.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride?
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride has a molecular weight of 352.87 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride is sourced from PubChem (CID 119657176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).