N',N'-dimethyl-N-[2-(5-phenyltetrazol-2-yl)ethyl]ethane-1,2-diamine

C13H20N6 — CID 62562414

IUPACN',N'-dimethyl-N-[2-(5-phenyltetrazol-2-yl)ethyl]ethane-1,2-diamine
SMILESCN(C)CCNCCn1nnc(-c2ccccc2)n1
InChIInChI=1S/C13H20N6/c1-18(2)10-8-14-9-11-19-16-13(15-17-19)12-6-4-3-5-7-12/h3-7,14H,8-11H2,1-2H3
InChIKeyWPNKKJJTARYYOK-UHFFFAOYSA-N
MW260.34 g/mol
LogP0.49
Rot. Bonds7

About N',N'-dimethyl-N-[2-(5-phenyltetrazol-2-yl)ethyl]ethane-1,2-diamine

N',N'-dimethyl-N-[2-(5-phenyltetrazol-2-yl)ethyl]ethane-1,2-diamine (PubChem CID 62562414) has the molecular formula C13H20N6 and a molecular weight of 260.34 g/mol. Its IUPAC name is N',N'-dimethyl-N-[2-(5-phenyltetrazol-2-yl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[2-(5-phenyltetrazol-2-yl)ethyl]ethane-1,2-diamine
PubChem CID62562414
Molecular FormulaC13H20N6
Molecular Weight260.34 g/mol
Exact Mass260.17
IUPAC NameN',N'-dimethyl-N-[2-(5-phenyltetrazol-2-yl)ethyl]ethane-1,2-diamine
SMILESCN(C)CCNCCn1nnc(-c2ccccc2)n1
InChIInChI=1S/C13H20N6/c1-18(2)10-8-14-9-11-19-16-13(15-17-19)12-6-4-3-5-7-12/h3-7,14H,8-11H2,1-2H3
InChIKeyWPNKKJJTARYYOK-UHFFFAOYSA-N
XLogP0.49
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[2-(5-phenyltetrazol-2-yl)ethyl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[2-(5-phenyltetrazol-2-yl)ethyl]ethane-1,2-diamine (CID 62562414) is N',N'-dimethyl-N-[2-(5-phenyltetrazol-2-yl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[2-(5-phenyltetrazol-2-yl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[2-(5-phenyltetrazol-2-yl)ethyl]ethane-1,2-diamine is CN(C)CCNCCn1nnc(-c2ccccc2)n1.
What is the InChIKey of N',N'-dimethyl-N-[2-(5-phenyltetrazol-2-yl)ethyl]ethane-1,2-diamine?
The InChIKey is WPNKKJJTARYYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-18(2)10-8-14-9-11-19-16-13(15-17-19)12-6-4-3-5-7-12/h3-7,14H,8-11H2,1-2H3.
What are the key properties of N',N'-dimethyl-N-[2-(5-phenyltetrazol-2-yl)ethyl]ethane-1,2-diamine?
N',N'-dimethyl-N-[2-(5-phenyltetrazol-2-yl)ethyl]ethane-1,2-diamine has a molecular weight of 260.34 g/mol, XLogP of 0.49, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[2-(5-phenyltetrazol-2-yl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 62562414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).