N',N'-diethyl-N-[(2-methyltetrazol-5-yl)methyl]ethane-1,2-diamine

C9H20N6 — CID 107042053

IUPACN',N'-diethyl-N-[(2-methyltetrazol-5-yl)methyl]ethane-1,2-diamine
SMILESCCN(CC)CCNCc1nnn(C)n1
InChIInChI=1S/C9H20N6/c1-4-15(5-2)7-6-10-8-9-11-13-14(3)12-9/h10H,4-8H2,1-3H3
InChIKeyWIXXGZQKAINIPT-UHFFFAOYSA-N
MW212.30 g/mol
LogP-0.36
Rot. Bonds7

About N',N'-diethyl-N-[(2-methyltetrazol-5-yl)methyl]ethane-1,2-diamine

N',N'-diethyl-N-[(2-methyltetrazol-5-yl)methyl]ethane-1,2-diamine (PubChem CID 107042053) has the molecular formula C9H20N6 and a molecular weight of 212.30 g/mol. Its IUPAC name is N',N'-diethyl-N-[(2-methyltetrazol-5-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-[(2-methyltetrazol-5-yl)methyl]ethane-1,2-diamine
PubChem CID107042053
Molecular FormulaC9H20N6
Molecular Weight212.30 g/mol
Exact Mass212.17
IUPAC NameN',N'-diethyl-N-[(2-methyltetrazol-5-yl)methyl]ethane-1,2-diamine
SMILESCCN(CC)CCNCc1nnn(C)n1
InChIInChI=1S/C9H20N6/c1-4-15(5-2)7-6-10-8-9-11-13-14(3)12-9/h10H,4-8H2,1-3H3
InChIKeyWIXXGZQKAINIPT-UHFFFAOYSA-N
XLogP-0.36
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N',N'-diethyl-N-[(2-methyltetrazol-5-yl)methyl]ethane-1,2-diamine 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',N'-diethyl-N-[(2-methyltetrazol-5-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-[(2-methyltetrazol-5-yl)methyl]ethane-1,2-diamine (CID 107042053) is N',N'-diethyl-N-[(2-methyltetrazol-5-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-[(2-methyltetrazol-5-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-[(2-methyltetrazol-5-yl)methyl]ethane-1,2-diamine is CCN(CC)CCNCc1nnn(C)n1.
What is the InChIKey of N',N'-diethyl-N-[(2-methyltetrazol-5-yl)methyl]ethane-1,2-diamine?
The InChIKey is WIXXGZQKAINIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N6/c1-4-15(5-2)7-6-10-8-9-11-13-14(3)12-9/h10H,4-8H2,1-3H3.
What are the key properties of N',N'-diethyl-N-[(2-methyltetrazol-5-yl)methyl]ethane-1,2-diamine?
N',N'-diethyl-N-[(2-methyltetrazol-5-yl)methyl]ethane-1,2-diamine has a molecular weight of 212.30 g/mol, XLogP of -0.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[(2-methyltetrazol-5-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 107042053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).