N-[(4-propan-2-ylphenyl)methyl]-1-propyltetrazol-5-amine

C14H21N5 — CID 2964094

IUPACN-[(4-propan-2-ylphenyl)methyl]-1-propyltetrazol-5-amine
SMILESCCCn1nnnc1NCc1ccc(C(C)C)cc1
InChIInChI=1S/C14H21N5/c1-4-9-19-14(16-17-18-19)15-10-12-5-7-13(8-6-12)11(2)3/h5-8,11H,4,9-10H2,1-3H3,(H,15,16,18)
InChIKeyOXQTURKZZRRSDG-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.82
Rot. Bonds6

About N-[(4-propan-2-ylphenyl)methyl]-1-propyltetrazol-5-amine

N-[(4-propan-2-ylphenyl)methyl]-1-propyltetrazol-5-amine (PubChem CID 2964094) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is N-[(4-propan-2-ylphenyl)methyl]-1-propyltetrazol-5-amine.

Molecular Properties

Compound NameN-[(4-propan-2-ylphenyl)methyl]-1-propyltetrazol-5-amine
PubChem CID2964094
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC NameN-[(4-propan-2-ylphenyl)methyl]-1-propyltetrazol-5-amine
SMILESCCCn1nnnc1NCc1ccc(C(C)C)cc1
InChIInChI=1S/C14H21N5/c1-4-9-19-14(16-17-18-19)15-10-12-5-7-13(8-6-12)11(2)3/h5-8,11H,4,9-10H2,1-3H3,(H,15,16,18)
InChIKeyOXQTURKZZRRSDG-UHFFFAOYSA-N
XLogP2.82
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-propan-2-ylphenyl)methyl]-1-propyltetrazol-5-amine?
The IUPAC name of N-[(4-propan-2-ylphenyl)methyl]-1-propyltetrazol-5-amine (CID 2964094) is N-[(4-propan-2-ylphenyl)methyl]-1-propyltetrazol-5-amine.
What is the SMILES notation for N-[(4-propan-2-ylphenyl)methyl]-1-propyltetrazol-5-amine?
The canonical SMILES for N-[(4-propan-2-ylphenyl)methyl]-1-propyltetrazol-5-amine is CCCn1nnnc1NCc1ccc(C(C)C)cc1.
What is the InChIKey of N-[(4-propan-2-ylphenyl)methyl]-1-propyltetrazol-5-amine?
The InChIKey is OXQTURKZZRRSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-4-9-19-14(16-17-18-19)15-10-12-5-7-13(8-6-12)11(2)3/h5-8,11H,4,9-10H2,1-3H3,(H,15,16,18).
What are the key properties of N-[(4-propan-2-ylphenyl)methyl]-1-propyltetrazol-5-amine?
N-[(4-propan-2-ylphenyl)methyl]-1-propyltetrazol-5-amine has a molecular weight of 259.36 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propan-2-ylphenyl)methyl]-1-propyltetrazol-5-amine is sourced from PubChem (CID 2964094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).