3-N-ethyl-1-N,1-N-dimethyl-4-(2-methyltetrazol-5-yl)butane-1,3-diamine

C10H22N6 — CID 107050603

IUPAC3-N-ethyl-1-N,1-N-dimethyl-4-(2-methyltetrazol-5-yl)butane-1,3-diamine
SMILESCCNC(CCN(C)C)Cc1nnn(C)n1
InChIInChI=1S/C10H22N6/c1-5-11-9(6-7-15(2)3)8-10-12-14-16(4)13-10/h9,11H,5-8H2,1-4H3
InChIKeyHVRXNHNQJNKKKT-UHFFFAOYSA-N
MW226.33 g/mol
LogP-0.32
Rot. Bonds7

About 3-N-ethyl-1-N,1-N-dimethyl-4-(2-methyltetrazol-5-yl)butane-1,3-diamine

3-N-ethyl-1-N,1-N-dimethyl-4-(2-methyltetrazol-5-yl)butane-1,3-diamine (PubChem CID 107050603) has the molecular formula C10H22N6 and a molecular weight of 226.33 g/mol. Its IUPAC name is 3-N-ethyl-1-N,1-N-dimethyl-4-(2-methyltetrazol-5-yl)butane-1,3-diamine.

Molecular Properties

Compound Name3-N-ethyl-1-N,1-N-dimethyl-4-(2-methyltetrazol-5-yl)butane-1,3-diamine
PubChem CID107050603
Molecular FormulaC10H22N6
Molecular Weight226.33 g/mol
Exact Mass226.19
IUPAC Name3-N-ethyl-1-N,1-N-dimethyl-4-(2-methyltetrazol-5-yl)butane-1,3-diamine
SMILESCCNC(CCN(C)C)Cc1nnn(C)n1
InChIInChI=1S/C10H22N6/c1-5-11-9(6-7-15(2)3)8-10-12-14-16(4)13-10/h9,11H,5-8H2,1-4H3
InChIKeyHVRXNHNQJNKKKT-UHFFFAOYSA-N
XLogP-0.32
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.33
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-N-ethyl-1-N,1-N-dimethyl-4-(2-methyltetrazol-5-yl)butane-1,3-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 3-N-ethyl-1-N,1-N-dimethyl-4-(2-methyltetrazol-5-yl)butane-1,3-diamine?
The IUPAC name of 3-N-ethyl-1-N,1-N-dimethyl-4-(2-methyltetrazol-5-yl)butane-1,3-diamine (CID 107050603) is 3-N-ethyl-1-N,1-N-dimethyl-4-(2-methyltetrazol-5-yl)butane-1,3-diamine.
What is the SMILES notation for 3-N-ethyl-1-N,1-N-dimethyl-4-(2-methyltetrazol-5-yl)butane-1,3-diamine?
The canonical SMILES for 3-N-ethyl-1-N,1-N-dimethyl-4-(2-methyltetrazol-5-yl)butane-1,3-diamine is CCNC(CCN(C)C)Cc1nnn(C)n1.
What is the InChIKey of 3-N-ethyl-1-N,1-N-dimethyl-4-(2-methyltetrazol-5-yl)butane-1,3-diamine?
The InChIKey is HVRXNHNQJNKKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N6/c1-5-11-9(6-7-15(2)3)8-10-12-14-16(4)13-10/h9,11H,5-8H2,1-4H3.
What are the key properties of 3-N-ethyl-1-N,1-N-dimethyl-4-(2-methyltetrazol-5-yl)butane-1,3-diamine?
3-N-ethyl-1-N,1-N-dimethyl-4-(2-methyltetrazol-5-yl)butane-1,3-diamine has a molecular weight of 226.33 g/mol, XLogP of -0.32, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-1-N,1-N-dimethyl-4-(2-methyltetrazol-5-yl)butane-1,3-diamine is sourced from PubChem (CID 107050603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).