1-(2-methyltetrazol-5-yl)-4-phenyl-N-propylbutan-2-amine

C15H23N5 — CID 107048747

IUPAC1-(2-methyltetrazol-5-yl)-4-phenyl-N-propylbutan-2-amine
SMILESCCCNC(CCc1ccccc1)Cc1nnn(C)n1
InChIInChI=1S/C15H23N5/c1-3-11-16-14(12-15-17-19-20(2)18-15)10-9-13-7-5-4-6-8-13/h4-8,14,16H,3,9-12H2,1-2H3
InChIKeyXHFMANXIIPLWTO-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.75
Rot. Bonds8

About 1-(2-methyltetrazol-5-yl)-4-phenyl-N-propylbutan-2-amine

1-(2-methyltetrazol-5-yl)-4-phenyl-N-propylbutan-2-amine (PubChem CID 107048747) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(2-methyltetrazol-5-yl)-4-phenyl-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(2-methyltetrazol-5-yl)-4-phenyl-N-propylbutan-2-amine
PubChem CID107048747
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name1-(2-methyltetrazol-5-yl)-4-phenyl-N-propylbutan-2-amine
SMILESCCCNC(CCc1ccccc1)Cc1nnn(C)n1
InChIInChI=1S/C15H23N5/c1-3-11-16-14(12-15-17-19-20(2)18-15)10-9-13-7-5-4-6-8-13/h4-8,14,16H,3,9-12H2,1-2H3
InChIKeyXHFMANXIIPLWTO-UHFFFAOYSA-N
XLogP1.75
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methyltetrazol-5-yl)-N-propyl-4-pyridin-4-ylbutan-2-amine
CID 107065461
1-(2-methyltetrazol-5-yl)-4-phenoxy-N-propylbutan-2-amine
CID 107048305
1-(2-methylphenyl)sulfanyl-3-(2-methyltetrazol-5-yl)-N-propylpropan-2-amine
CID 107049689
N-ethyl-4-(4-methoxyphenyl)-1-(2-methyltetrazol-5-yl)butan-2-amine
CID 107065191
N-ethyl-1-(2-methyltetrazol-5-yl)-4-phenoxybutan-2-amine
CID 107048302
1-(2-methyl-1,3-thiazol-4-yl)-4-phenyl-N-propylbutan-2-amine
CID 62798101
N-ethyl-1-(2-methyltetrazol-5-yl)-3-phenoxypropan-2-amine
CID 107048963
[4-(4-methylphenyl)-1-(2-methyltetrazol-5-yl)butan-2-yl]hydrazine
CID 107066767
1-(5-ethylthiophen-2-yl)-4-phenyl-N-propylbutan-2-amine
CID 63417309
1-(2-methylpyrazol-3-yl)-5-phenyl-N-propylpentan-3-amine
CID 103009511
3-(2-methyltetrazol-5-yl)-2-phenyl-N-propylpropan-1-amine
CID 107053280
1-N,1-N-dimethyl-4-phenyl-2-N-propylbutane-1,2-diamine
CID 79089217

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyltetrazol-5-yl)-4-phenyl-N-propylbutan-2-amine?
The IUPAC name of 1-(2-methyltetrazol-5-yl)-4-phenyl-N-propylbutan-2-amine (CID 107048747) is 1-(2-methyltetrazol-5-yl)-4-phenyl-N-propylbutan-2-amine.
What is the SMILES notation for 1-(2-methyltetrazol-5-yl)-4-phenyl-N-propylbutan-2-amine?
The canonical SMILES for 1-(2-methyltetrazol-5-yl)-4-phenyl-N-propylbutan-2-amine is CCCNC(CCc1ccccc1)Cc1nnn(C)n1.
What is the InChIKey of 1-(2-methyltetrazol-5-yl)-4-phenyl-N-propylbutan-2-amine?
The InChIKey is XHFMANXIIPLWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-3-11-16-14(12-15-17-19-20(2)18-15)10-9-13-7-5-4-6-8-13/h4-8,14,16H,3,9-12H2,1-2H3.
What are the key properties of 1-(2-methyltetrazol-5-yl)-4-phenyl-N-propylbutan-2-amine?
1-(2-methyltetrazol-5-yl)-4-phenyl-N-propylbutan-2-amine has a molecular weight of 273.38 g/mol, XLogP of 1.75, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyltetrazol-5-yl)-4-phenyl-N-propylbutan-2-amine is sourced from PubChem (CID 107048747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).