3-phenyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]butan-2-amine

C15H23N5 — CID 75499523

IUPAC3-phenyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]butan-2-amine
SMILESCC(NCc1nnnn1C(C)C)C(C)c1ccccc1
InChIInChI=1S/C15H23N5/c1-11(2)20-15(17-18-19-20)10-16-13(4)12(3)14-8-6-5-7-9-14/h5-9,11-13,16H,10H2,1-4H3
InChIKeyDRXSFCXBBDWFOS-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.54
Rot. Bonds6

About 3-phenyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]butan-2-amine

3-phenyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]butan-2-amine (PubChem CID 75499523) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-phenyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]butan-2-amine.

Molecular Properties

Compound Name3-phenyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]butan-2-amine
PubChem CID75499523
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name3-phenyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]butan-2-amine
SMILESCC(NCc1nnnn1C(C)C)C(C)c1ccccc1
InChIInChI=1S/C15H23N5/c1-11(2)20-15(17-18-19-20)10-16-13(4)12(3)14-8-6-5-7-9-14/h5-9,11-13,16H,10H2,1-4H3
InChIKeyDRXSFCXBBDWFOS-UHFFFAOYSA-N
XLogP2.54
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]butan-2-amine?
The IUPAC name of 3-phenyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]butan-2-amine (CID 75499523) is 3-phenyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]butan-2-amine.
What is the SMILES notation for 3-phenyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]butan-2-amine?
The canonical SMILES for 3-phenyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]butan-2-amine is CC(NCc1nnnn1C(C)C)C(C)c1ccccc1.
What is the InChIKey of 3-phenyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]butan-2-amine?
The InChIKey is DRXSFCXBBDWFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-11(2)20-15(17-18-19-20)10-16-13(4)12(3)14-8-6-5-7-9-14/h5-9,11-13,16H,10H2,1-4H3.
What are the key properties of 3-phenyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]butan-2-amine?
3-phenyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]butan-2-amine has a molecular weight of 273.38 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]butan-2-amine is sourced from PubChem (CID 75499523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).