3-methyl-1-(1-phenyltetrazol-5-yl)-N-propylbutan-2-amine

C15H23N5 — CID 63202229

IUPAC3-methyl-1-(1-phenyltetrazol-5-yl)-N-propylbutan-2-amine
SMILESCCCNC(Cc1nnnn1-c1ccccc1)C(C)C
InChIInChI=1S/C15H23N5/c1-4-10-16-14(12(2)3)11-15-17-18-19-20(15)13-8-6-5-7-9-13/h5-9,12,14,16H,4,10-11H2,1-3H3
InChIKeyXQAVHDCNOLBMGF-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.23
Rot. Bonds7

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

3-methyl-1-(1-phenyltetrazol-5-yl)-N-propylbutan-2-amine (PubChem CID 63202229) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-methyl-1-(1-phenyltetrazol-5-yl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name3-methyl-1-(1-phenyltetrazol-5-yl)-N-propylbutan-2-amine
PubChem CID63202229
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name3-methyl-1-(1-phenyltetrazol-5-yl)-N-propylbutan-2-amine
SMILESCCCNC(Cc1nnnn1-c1ccccc1)C(C)C
InChIInChI=1S/C15H23N5/c1-4-10-16-14(12(2)3)11-15-17-18-19-20(15)13-8-6-5-7-9-13/h5-9,12,14,16H,4,10-11H2,1-3H3
InChIKeyXQAVHDCNOLBMGF-UHFFFAOYSA-N
XLogP2.23
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1-phenyltetrazol-5-yl)ethyl]propan-1-amine
CID 103710980
N-ethyl-1-(1-phenyltetrazol-5-yl)pentan-2-amine
CID 63198408
5-(2-bromopropyl)-1-phenyltetrazole
CID 63203207
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-[(1-phenyltetrazol-5-yl)methyl]pentan-2-amine
CID 60672263
5-(2-bromobutyl)-1-phenyltetrazole
CID 63203792
4-methyl-3-[(1-phenyltetrazol-5-yl)methyl]pentan-2-one
CID 79417789
N-ethyl-4-methyl-2-[(1-phenyltetrazol-5-yl)methyl]pentan-1-amine
CID 62529711
N-methyl-1-phenyl-2-(1-phenyltetrazol-5-yl)ethanamine
CID 63199473
5-[2-(chloromethyl)butyl]-1-phenyltetrazole
CID 66035227
5-butyl-1-phenyltetrazole
CID 69031432

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-phenyltetrazol-5-yl)-N-propylbutan-2-amine?
The IUPAC name of 3-methyl-1-(1-phenyltetrazol-5-yl)-N-propylbutan-2-amine (CID 63202229) is 3-methyl-1-(1-phenyltetrazol-5-yl)-N-propylbutan-2-amine.
What is the SMILES notation for 3-methyl-1-(1-phenyltetrazol-5-yl)-N-propylbutan-2-amine?
The canonical SMILES for 3-methyl-1-(1-phenyltetrazol-5-yl)-N-propylbutan-2-amine is CCCNC(Cc1nnnn1-c1ccccc1)C(C)C.
What is the InChIKey of 3-methyl-1-(1-phenyltetrazol-5-yl)-N-propylbutan-2-amine?
The InChIKey is XQAVHDCNOLBMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-4-10-16-14(12(2)3)11-15-17-18-19-20(15)13-8-6-5-7-9-13/h5-9,12,14,16H,4,10-11H2,1-3H3.
What are the key properties of 3-methyl-1-(1-phenyltetrazol-5-yl)-N-propylbutan-2-amine?
3-methyl-1-(1-phenyltetrazol-5-yl)-N-propylbutan-2-amine has a molecular weight of 273.38 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-phenyltetrazol-5-yl)-N-propylbutan-2-amine is sourced from PubChem (CID 63202229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).