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

C10H22N6 — CID 107043617

IUPACN-tert-butyl-N'-methyl-N'-[(2-methyltetrazol-5-yl)methyl]ethane-1,2-diamine
SMILESCN(CCNC(C)(C)C)Cc1nnn(C)n1
InChIInChI=1S/C10H22N6/c1-10(2,3)11-6-7-15(4)8-9-12-14-16(5)13-9/h11H,6-8H2,1-5H3
InChIKeyRNHQEOPATJGIFG-UHFFFAOYSA-N
MW226.33 g/mol
LogP0.03
Rot. Bonds5

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

N-tert-butyl-N'-methyl-N'-[(2-methyltetrazol-5-yl)methyl]ethane-1,2-diamine (PubChem CID 107043617) has the molecular formula C10H22N6 and a molecular weight of 226.33 g/mol. Its IUPAC name is N-tert-butyl-N'-methyl-N'-[(2-methyltetrazol-5-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-tert-butyl-N'-methyl-N'-[(2-methyltetrazol-5-yl)methyl]ethane-1,2-diamine
PubChem CID107043617
Molecular FormulaC10H22N6
Molecular Weight226.33 g/mol
Exact Mass226.19
IUPAC NameN-tert-butyl-N'-methyl-N'-[(2-methyltetrazol-5-yl)methyl]ethane-1,2-diamine
SMILESCN(CCNC(C)(C)C)Cc1nnn(C)n1
InChIInChI=1S/C10H22N6/c1-10(2,3)11-6-7-15(4)8-9-12-14-16(5)13-9/h11H,6-8H2,1-5H3
InChIKeyRNHQEOPATJGIFG-UHFFFAOYSA-N
XLogP0.03
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.33
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-methyl-N'-[(2-methyltetrazol-5-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N-tert-butyl-N'-methyl-N'-[(2-methyltetrazol-5-yl)methyl]ethane-1,2-diamine (CID 107043617) is N-tert-butyl-N'-methyl-N'-[(2-methyltetrazol-5-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N-tert-butyl-N'-methyl-N'-[(2-methyltetrazol-5-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N-tert-butyl-N'-methyl-N'-[(2-methyltetrazol-5-yl)methyl]ethane-1,2-diamine is CN(CCNC(C)(C)C)Cc1nnn(C)n1.
What is the InChIKey of N-tert-butyl-N'-methyl-N'-[(2-methyltetrazol-5-yl)methyl]ethane-1,2-diamine?
The InChIKey is RNHQEOPATJGIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N6/c1-10(2,3)11-6-7-15(4)8-9-12-14-16(5)13-9/h11H,6-8H2,1-5H3.
What are the key properties of N-tert-butyl-N'-methyl-N'-[(2-methyltetrazol-5-yl)methyl]ethane-1,2-diamine?
N-tert-butyl-N'-methyl-N'-[(2-methyltetrazol-5-yl)methyl]ethane-1,2-diamine has a molecular weight of 226.33 g/mol, XLogP of 0.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-methyl-N'-[(2-methyltetrazol-5-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 107043617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).