2-methyl-2-[(1-phenyltetrazol-5-yl)methyl]butan-1-amine

C13H19N5 — CID 62725113

IUPAC2-methyl-2-[(1-phenyltetrazol-5-yl)methyl]butan-1-amine
SMILESCCC(C)(CN)Cc1nnnn1-c1ccccc1
InChIInChI=1S/C13H19N5/c1-3-13(2,10-14)9-12-15-16-17-18(12)11-7-5-4-6-8-11/h4-8H,3,9-10,14H2,1-2H3
InChIKeyNBACFTLUPYACPB-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.58
Rot. Bonds5

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

2-methyl-2-[(1-phenyltetrazol-5-yl)methyl]butan-1-amine (PubChem CID 62725113) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-methyl-2-[(1-phenyltetrazol-5-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name2-methyl-2-[(1-phenyltetrazol-5-yl)methyl]butan-1-amine
PubChem CID62725113
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name2-methyl-2-[(1-phenyltetrazol-5-yl)methyl]butan-1-amine
SMILESCCC(C)(CN)Cc1nnnn1-c1ccccc1
InChIInChI=1S/C13H19N5/c1-3-13(2,10-14)9-12-15-16-17-18(12)11-7-5-4-6-8-11/h4-8H,3,9-10,14H2,1-2H3
InChIKeyNBACFTLUPYACPB-UHFFFAOYSA-N
XLogP1.58
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-bromo-2-(bromomethyl)-2-methylpropyl]-1-phenyltetrazole
CID 79453033
2-(1-phenyltetrazol-5-yl)ethanamine
CID 64981210
1-phenyl-5-[(1-phenyltetrazol-5-yl)methyl]tetrazole
CID 3090521
2,3-dimethyl-2-[(1-phenyltetrazol-5-yl)methyl]butan-1-ol
CID 83151612
5-butyl-1-phenyltetrazole
CID 69031432
dimethyl-[(1-phenyltetrazol-5-yl)methyl]azanium
CID 7303876
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 3031920
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine;hydrochloride
CID 3031919
5-(2-bromobutyl)-1-phenyltetrazole
CID 63203792
2-methyl-2-[(1-phenyltetrazol-5-yl)methylamino]propane-1,3-diol
CID 79811196
2-ethoxy-2-methyl-N-[(1-phenyltetrazol-5-yl)methyl]propan-1-amine
CID 114941953
5-(2-bromopropyl)-1-phenyltetrazole
CID 63203207

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(1-phenyltetrazol-5-yl)methyl]butan-1-amine?
The IUPAC name of 2-methyl-2-[(1-phenyltetrazol-5-yl)methyl]butan-1-amine (CID 62725113) is 2-methyl-2-[(1-phenyltetrazol-5-yl)methyl]butan-1-amine.
What is the SMILES notation for 2-methyl-2-[(1-phenyltetrazol-5-yl)methyl]butan-1-amine?
The canonical SMILES for 2-methyl-2-[(1-phenyltetrazol-5-yl)methyl]butan-1-amine is CCC(C)(CN)Cc1nnnn1-c1ccccc1.
What is the InChIKey of 2-methyl-2-[(1-phenyltetrazol-5-yl)methyl]butan-1-amine?
The InChIKey is NBACFTLUPYACPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-3-13(2,10-14)9-12-15-16-17-18(12)11-7-5-4-6-8-11/h4-8H,3,9-10,14H2,1-2H3.
What are the key properties of 2-methyl-2-[(1-phenyltetrazol-5-yl)methyl]butan-1-amine?
2-methyl-2-[(1-phenyltetrazol-5-yl)methyl]butan-1-amine has a molecular weight of 245.33 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(1-phenyltetrazol-5-yl)methyl]butan-1-amine is sourced from PubChem (CID 62725113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).