2-methyl-3-(5-phenyltetrazol-2-yl)butan-1-amine

C12H17N5 — CID 79409199

IUPAC2-methyl-3-(5-phenyltetrazol-2-yl)butan-1-amine
SMILESCC(CN)C(C)n1nnc(-c2ccccc2)n1
InChIInChI=1S/C12H17N5/c1-9(8-13)10(2)17-15-12(14-16-17)11-6-4-3-5-7-11/h3-7,9-10H,8,13H2,1-2H3
InChIKeyFOTONKUASLWXTR-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.50
Rot. Bonds4

About 2-methyl-3-(5-phenyltetrazol-2-yl)butan-1-amine

2-methyl-3-(5-phenyltetrazol-2-yl)butan-1-amine (PubChem CID 79409199) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-methyl-3-(5-phenyltetrazol-2-yl)butan-1-amine.

Molecular Properties

Compound Name2-methyl-3-(5-phenyltetrazol-2-yl)butan-1-amine
PubChem CID79409199
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name2-methyl-3-(5-phenyltetrazol-2-yl)butan-1-amine
SMILESCC(CN)C(C)n1nnc(-c2ccccc2)n1
InChIInChI=1S/C12H17N5/c1-9(8-13)10(2)17-15-12(14-16-17)11-6-4-3-5-7-11/h3-7,9-10H,8,13H2,1-2H3
InChIKeyFOTONKUASLWXTR-UHFFFAOYSA-N
XLogP1.50
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride
CID 119588881
N-[2-(methylamino)ethyl]-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride
CID 119504464
N-[3-(methylamino)propyl]-2-(5-phenyltetrazol-2-yl)propanamide
CID 119434349
2-(5-phenyltetrazol-2-yl)butanehydrazide
CID 63573923
methyl 3-(5-phenyltetrazol-2-yl)butanoate
CID 43536415
N-methyl-2-phenyl-2-(5-phenyltetrazol-2-yl)ethanamine
CID 62448473
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride
CID 119657176
N-[2-(5-phenyltetrazol-2-yl)ethyl]propan-2-amine
CID 55070699
N-[2-(ethylamino)ethyl]-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide
CID 119505106
2-(5-phenyltetrazol-2-yl)pentanehydrazide
CID 83048205
3-methoxy-2-(5-phenyltetrazol-2-yl)-N-propan-2-ylpropan-1-amine
CID 103227465
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(5-phenyltetrazol-2-yl)propan-1-one
CID 119487364

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(5-phenyltetrazol-2-yl)butan-1-amine?
The IUPAC name of 2-methyl-3-(5-phenyltetrazol-2-yl)butan-1-amine (CID 79409199) is 2-methyl-3-(5-phenyltetrazol-2-yl)butan-1-amine.
What is the SMILES notation for 2-methyl-3-(5-phenyltetrazol-2-yl)butan-1-amine?
The canonical SMILES for 2-methyl-3-(5-phenyltetrazol-2-yl)butan-1-amine is CC(CN)C(C)n1nnc(-c2ccccc2)n1.
What is the InChIKey of 2-methyl-3-(5-phenyltetrazol-2-yl)butan-1-amine?
The InChIKey is FOTONKUASLWXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-9(8-13)10(2)17-15-12(14-16-17)11-6-4-3-5-7-11/h3-7,9-10H,8,13H2,1-2H3.
What are the key properties of 2-methyl-3-(5-phenyltetrazol-2-yl)butan-1-amine?
2-methyl-3-(5-phenyltetrazol-2-yl)butan-1-amine has a molecular weight of 231.30 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(5-phenyltetrazol-2-yl)butan-1-amine is sourced from PubChem (CID 79409199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).