3-N-ethyl-1-N,1-N,3-N,5-tetramethylcyclohexa-1,5-diene-1,3-diamine

C12H22N2 — CID 131994193

IUPAC3-N-ethyl-1-N,1-N,3-N,5-tetramethylcyclohexa-1,5-diene-1,3-diamine
SMILESCCN(C)C1C=C(N(C)C)C=C(C)C1
InChIInChI=1S/C12H22N2/c1-6-14(5)12-8-10(2)7-11(9-12)13(3)4/h7,9,12H,6,8H2,1-5H3
InChIKeyDMXZNPXWYCVIOY-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.10
Rot. Bonds3

About 3-N-ethyl-1-N,1-N,3-N,5-tetramethylcyclohexa-1,5-diene-1,3-diamine

3-N-ethyl-1-N,1-N,3-N,5-tetramethylcyclohexa-1,5-diene-1,3-diamine (PubChem CID 131994193) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 3-N-ethyl-1-N,1-N,3-N,5-tetramethylcyclohexa-1,5-diene-1,3-diamine.

Molecular Properties

Compound Name3-N-ethyl-1-N,1-N,3-N,5-tetramethylcyclohexa-1,5-diene-1,3-diamine
PubChem CID131994193
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name3-N-ethyl-1-N,1-N,3-N,5-tetramethylcyclohexa-1,5-diene-1,3-diamine
SMILESCCN(C)C1C=C(N(C)C)C=C(C)C1
InChIInChI=1S/C12H22N2/c1-6-14(5)12-8-10(2)7-11(9-12)13(3)4/h7,9,12H,6,8H2,1-5H3
InChIKeyDMXZNPXWYCVIOY-UHFFFAOYSA-N
XLogP2.10
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-1-N,1-N,3-N,5-tetramethylcyclohexa-1,5-diene-1,3-diamine?
The IUPAC name of 3-N-ethyl-1-N,1-N,3-N,5-tetramethylcyclohexa-1,5-diene-1,3-diamine (CID 131994193) is 3-N-ethyl-1-N,1-N,3-N,5-tetramethylcyclohexa-1,5-diene-1,3-diamine.
What is the SMILES notation for 3-N-ethyl-1-N,1-N,3-N,5-tetramethylcyclohexa-1,5-diene-1,3-diamine?
The canonical SMILES for 3-N-ethyl-1-N,1-N,3-N,5-tetramethylcyclohexa-1,5-diene-1,3-diamine is CCN(C)C1C=C(N(C)C)C=C(C)C1.
What is the InChIKey of 3-N-ethyl-1-N,1-N,3-N,5-tetramethylcyclohexa-1,5-diene-1,3-diamine?
The InChIKey is DMXZNPXWYCVIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-6-14(5)12-8-10(2)7-11(9-12)13(3)4/h7,9,12H,6,8H2,1-5H3.
What are the key properties of 3-N-ethyl-1-N,1-N,3-N,5-tetramethylcyclohexa-1,5-diene-1,3-diamine?
3-N-ethyl-1-N,1-N,3-N,5-tetramethylcyclohexa-1,5-diene-1,3-diamine has a molecular weight of 194.32 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-1-N,1-N,3-N,5-tetramethylcyclohexa-1,5-diene-1,3-diamine is sourced from PubChem (CID 131994193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).