N'-ethyl-2,2-dimethyl-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine

C9H20N6 — CID 79662024

IUPACN'-ethyl-2,2-dimethyl-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine
SMILESCCN(CC(C)(C)CN)c1nnnn1C
InChIInChI=1S/C9H20N6/c1-5-15(7-9(2,3)6-10)8-11-12-13-14(8)4/h5-7,10H2,1-4H3
InChIKeyTUOHMLFGLXXXLA-UHFFFAOYSA-N
MW212.30 g/mol
LogP0.02
Rot. Bonds5

About N'-ethyl-2,2-dimethyl-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine

N'-ethyl-2,2-dimethyl-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine (PubChem CID 79662024) has the molecular formula C9H20N6 and a molecular weight of 212.30 g/mol. Its IUPAC name is N'-ethyl-2,2-dimethyl-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-2,2-dimethyl-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine
PubChem CID79662024
Molecular FormulaC9H20N6
Molecular Weight212.30 g/mol
Exact Mass212.17
IUPAC NameN'-ethyl-2,2-dimethyl-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine
SMILESCCN(CC(C)(C)CN)c1nnnn1C
InChIInChI=1S/C9H20N6/c1-5-15(7-9(2,3)6-10)8-11-12-13-14(8)4/h5-7,10H2,1-4H3
InChIKeyTUOHMLFGLXXXLA-UHFFFAOYSA-N
XLogP0.02
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-2,2-dimethyl-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine?
The IUPAC name of N'-ethyl-2,2-dimethyl-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine (CID 79662024) is N'-ethyl-2,2-dimethyl-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine.
What is the SMILES notation for N'-ethyl-2,2-dimethyl-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine?
The canonical SMILES for N'-ethyl-2,2-dimethyl-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine is CCN(CC(C)(C)CN)c1nnnn1C.
What is the InChIKey of N'-ethyl-2,2-dimethyl-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine?
The InChIKey is TUOHMLFGLXXXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N6/c1-5-15(7-9(2,3)6-10)8-11-12-13-14(8)4/h5-7,10H2,1-4H3.
What are the key properties of N'-ethyl-2,2-dimethyl-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine?
N'-ethyl-2,2-dimethyl-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine has a molecular weight of 212.30 g/mol, XLogP of 0.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-2,2-dimethyl-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine is sourced from PubChem (CID 79662024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).