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

C15H24N6 — CID 834702

IUPACN-[[4-(diethylamino)phenyl]methyl]-1-propyltetrazol-5-amine
SMILESCCCn1nnnc1NCc1ccc(N(CC)CC)cc1
InChIInChI=1S/C15H24N6/c1-4-11-21-15(17-18-19-21)16-12-13-7-9-14(10-8-13)20(5-2)6-3/h7-10H,4-6,11-12H2,1-3H3,(H,16,17,19)
InChIKeyHJFRICIYSOTPON-UHFFFAOYSA-N
MW288.40 g/mol
LogP2.54
Rot. Bonds8

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

N-[[4-(diethylamino)phenyl]methyl]-1-propyltetrazol-5-amine (PubChem CID 834702) has the molecular formula C15H24N6 and a molecular weight of 288.40 g/mol. Its IUPAC name is N-[[4-(diethylamino)phenyl]methyl]-1-propyltetrazol-5-amine.

Molecular Properties

Compound NameN-[[4-(diethylamino)phenyl]methyl]-1-propyltetrazol-5-amine
PubChem CID834702
Molecular FormulaC15H24N6
Molecular Weight288.40 g/mol
Exact Mass288.21
IUPAC NameN-[[4-(diethylamino)phenyl]methyl]-1-propyltetrazol-5-amine
SMILESCCCn1nnnc1NCc1ccc(N(CC)CC)cc1
InChIInChI=1S/C15H24N6/c1-4-11-21-15(17-18-19-21)16-12-13-7-9-14(10-8-13)20(5-2)6-3/h7-10H,4-6,11-12H2,1-3H3,(H,16,17,19)
InChIKeyHJFRICIYSOTPON-UHFFFAOYSA-N
XLogP2.54
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[[4-(diethylamino)phenyl]methyl]-1-propyltetrazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylamino)phenyl]methyl]-1-propyltetrazol-5-amine?
The IUPAC name of N-[[4-(diethylamino)phenyl]methyl]-1-propyltetrazol-5-amine (CID 834702) is N-[[4-(diethylamino)phenyl]methyl]-1-propyltetrazol-5-amine.
What is the SMILES notation for N-[[4-(diethylamino)phenyl]methyl]-1-propyltetrazol-5-amine?
The canonical SMILES for N-[[4-(diethylamino)phenyl]methyl]-1-propyltetrazol-5-amine is CCCn1nnnc1NCc1ccc(N(CC)CC)cc1.
What is the InChIKey of N-[[4-(diethylamino)phenyl]methyl]-1-propyltetrazol-5-amine?
The InChIKey is HJFRICIYSOTPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6/c1-4-11-21-15(17-18-19-21)16-12-13-7-9-14(10-8-13)20(5-2)6-3/h7-10H,4-6,11-12H2,1-3H3,(H,16,17,19).
What are the key properties of N-[[4-(diethylamino)phenyl]methyl]-1-propyltetrazol-5-amine?
N-[[4-(diethylamino)phenyl]methyl]-1-propyltetrazol-5-amine has a molecular weight of 288.40 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylamino)phenyl]methyl]-1-propyltetrazol-5-amine is sourced from PubChem (CID 834702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).