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

C13H19N5 — CID 55108359

IUPAC2-methyl-N-[(1-phenyltetrazol-5-yl)methyl]butan-1-amine
SMILESCCC(C)CNCc1nnnn1-c1ccccc1
InChIInChI=1S/C13H19N5/c1-3-11(2)9-14-10-13-15-16-17-18(13)12-7-5-4-6-8-12/h4-8,11,14H,3,9-10H2,1-2H3
InChIKeyJLECBTWHJPOAOT-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.80
Rot. Bonds6

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

2-methyl-N-[(1-phenyltetrazol-5-yl)methyl]butan-1-amine (PubChem CID 55108359) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-methyl-N-[(1-phenyltetrazol-5-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(1-phenyltetrazol-5-yl)methyl]butan-1-amine
PubChem CID55108359
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name2-methyl-N-[(1-phenyltetrazol-5-yl)methyl]butan-1-amine
SMILESCCC(C)CNCc1nnnn1-c1ccccc1
InChIInChI=1S/C13H19N5/c1-3-11(2)9-14-10-13-15-16-17-18(13)12-7-5-4-6-8-12/h4-8,11,14H,3,9-10H2,1-2H3
InChIKeyJLECBTWHJPOAOT-UHFFFAOYSA-N
XLogP1.80
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 3031920
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine;hydrochloride
CID 3031919
N-ethyl-2-[(1-phenyltetrazol-5-yl)methyl]butan-1-amine
CID 62529368
N-[(1-phenyltetrazol-5-yl)methyl]pentan-2-amine
CID 60672263
2-ethoxy-2-methyl-N-[(1-phenyltetrazol-5-yl)methyl]propan-1-amine
CID 114941953
N-ethyl-4-methyl-2-[(1-phenyltetrazol-5-yl)methyl]pentan-1-amine
CID 62529711
2-methyl-3-(1-phenyltetrazol-5-yl)-N-propan-2-ylpropan-1-amine
CID 62530476
2-[(1-phenyltetrazol-5-yl)methyl]-N-propan-2-ylbutan-1-amine
CID 62531179
N-ethoxy-1-(1-phenyltetrazol-5-yl)methanamine
CID 60702902
2-[[(1-phenyltetrazol-5-yl)methylamino]methyl]phenol
CID 115603162
2-[(1-phenyltetrazol-5-yl)methylamino]propanoic acid
CID 43467064
1-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
CID 62627608

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-phenyltetrazol-5-yl)methyl]butan-1-amine?
The IUPAC name of 2-methyl-N-[(1-phenyltetrazol-5-yl)methyl]butan-1-amine (CID 55108359) is 2-methyl-N-[(1-phenyltetrazol-5-yl)methyl]butan-1-amine.
What is the SMILES notation for 2-methyl-N-[(1-phenyltetrazol-5-yl)methyl]butan-1-amine?
The canonical SMILES for 2-methyl-N-[(1-phenyltetrazol-5-yl)methyl]butan-1-amine is CCC(C)CNCc1nnnn1-c1ccccc1.
What is the InChIKey of 2-methyl-N-[(1-phenyltetrazol-5-yl)methyl]butan-1-amine?
The InChIKey is JLECBTWHJPOAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-3-11(2)9-14-10-13-15-16-17-18(13)12-7-5-4-6-8-12/h4-8,11,14H,3,9-10H2,1-2H3.
What are the key properties of 2-methyl-N-[(1-phenyltetrazol-5-yl)methyl]butan-1-amine?
2-methyl-N-[(1-phenyltetrazol-5-yl)methyl]butan-1-amine has a molecular weight of 245.33 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-phenyltetrazol-5-yl)methyl]butan-1-amine is sourced from PubChem (CID 55108359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).