N-[[4-(dimethylamino)phenyl]methyl]-1-propyltetrazol-5-amine

C13H20N6 — CID 4727225

IUPACN-[[4-(dimethylamino)phenyl]methyl]-1-propyltetrazol-5-amine
SMILESCCCn1nnnc1NCc1ccc(N(C)C)cc1
InChIInChI=1S/C13H20N6/c1-4-9-19-13(15-16-17-19)14-10-11-5-7-12(8-6-11)18(2)3/h5-8H,4,9-10H2,1-3H3,(H,14,15,17)
InChIKeyAUJIUJSYFDDZKQ-UHFFFAOYSA-N
MW260.35 g/mol
LogP1.76
Rot. Bonds6

About N-[[4-(dimethylamino)phenyl]methyl]-1-propyltetrazol-5-amine

N-[[4-(dimethylamino)phenyl]methyl]-1-propyltetrazol-5-amine (PubChem CID 4727225) has the molecular formula C13H20N6 and a molecular weight of 260.35 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-1-propyltetrazol-5-amine.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-1-propyltetrazol-5-amine
PubChem CID4727225
Molecular FormulaC13H20N6
Molecular Weight260.35 g/mol
Exact Mass260.17
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-1-propyltetrazol-5-amine
SMILESCCCn1nnnc1NCc1ccc(N(C)C)cc1
InChIInChI=1S/C13H20N6/c1-4-9-19-13(15-16-17-19)14-10-11-5-7-12(8-6-11)18(2)3/h5-8H,4,9-10H2,1-3H3,(H,14,15,17)
InChIKeyAUJIUJSYFDDZKQ-UHFFFAOYSA-N
XLogP1.76
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.35
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-1-propyltetrazol-5-amine?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-1-propyltetrazol-5-amine (CID 4727225) is N-[[4-(dimethylamino)phenyl]methyl]-1-propyltetrazol-5-amine.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-1-propyltetrazol-5-amine?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-1-propyltetrazol-5-amine is CCCn1nnnc1NCc1ccc(N(C)C)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-1-propyltetrazol-5-amine?
The InChIKey is AUJIUJSYFDDZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-4-9-19-13(15-16-17-19)14-10-11-5-7-12(8-6-11)18(2)3/h5-8H,4,9-10H2,1-3H3,(H,14,15,17).
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-1-propyltetrazol-5-amine?
N-[[4-(dimethylamino)phenyl]methyl]-1-propyltetrazol-5-amine has a molecular weight of 260.35 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-1-propyltetrazol-5-amine is sourced from PubChem (CID 4727225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).