3-N-(4-ethylcyclohexyl)-3-N-methylpyrazine-2,3-diamine

C13H22N4 — CID 102986160

IUPAC3-N-(4-ethylcyclohexyl)-3-N-methylpyrazine-2,3-diamine
SMILESCCC1CCC(N(C)c2nccnc2N)CC1
InChIInChI=1S/C13H22N4/c1-3-10-4-6-11(7-5-10)17(2)13-12(14)15-8-9-16-13/h8-11H,3-7H2,1-2H3,(H2,14,15)
InChIKeyQTHGLHFUMJNUIM-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.46
Rot. Bonds3

About 3-N-(4-ethylcyclohexyl)-3-N-methylpyrazine-2,3-diamine

3-N-(4-ethylcyclohexyl)-3-N-methylpyrazine-2,3-diamine (PubChem CID 102986160) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 3-N-(4-ethylcyclohexyl)-3-N-methylpyrazine-2,3-diamine.

Molecular Properties

Compound Name3-N-(4-ethylcyclohexyl)-3-N-methylpyrazine-2,3-diamine
PubChem CID102986160
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name3-N-(4-ethylcyclohexyl)-3-N-methylpyrazine-2,3-diamine
SMILESCCC1CCC(N(C)c2nccnc2N)CC1
InChIInChI=1S/C13H22N4/c1-3-10-4-6-11(7-5-10)17(2)13-12(14)15-8-9-16-13/h8-11H,3-7H2,1-2H3,(H2,14,15)
InChIKeyQTHGLHFUMJNUIM-UHFFFAOYSA-N
XLogP2.46
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-N-(4-ethylcyclohexyl)-N-methylpyridin-2-amine
CID 54947942
3-[(cyclopropylamino)methyl]-N-(4-ethylcyclohexyl)-N-methylpyridin-2-amine
CID 62287807
3-N-(cyclopropylmethyl)-3-N-propylpyrazine-2,3-diamine
CID 102985764
2,5-dichloro-N-(4-ethylcyclohexyl)-N-methylpyrimidin-4-amine
CID 79632393
2-(aminomethyl)-N-(4-ethylcyclohexyl)-N-methylpyridin-4-amine
CID 55125544
2-N-(4-ethylcyclohexyl)-2-N,5-dimethylpyridine-2,4-diamine
CID 83266005
2-N-(4-ethylcyclohexyl)-2-N,4-dimethylpyridine-2,5-diamine
CID 79173042
3,6-dichloro-N-(4-ethylcyclohexyl)-N-methyl-1,2,4-triazin-5-amine
CID 81035919
5-(2-aminoethyl)-N-(4-ethylcyclohexyl)-N,3-dimethylpyridin-2-amine
CID 80634965
5-chloro-N-(4-ethylcyclohexyl)-3-fluoro-N-methylpyridin-2-amine
CID 79727276
2-N-cyclopropyl-2-N-methylpyridine-2,3-diamine
CID 43264702
4-N-(4-ethylcyclohexyl)-4-N,6-dimethylpyrimidine-2,4-diamine
CID 80809163

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-ethylcyclohexyl)-3-N-methylpyrazine-2,3-diamine?
The IUPAC name of 3-N-(4-ethylcyclohexyl)-3-N-methylpyrazine-2,3-diamine (CID 102986160) is 3-N-(4-ethylcyclohexyl)-3-N-methylpyrazine-2,3-diamine.
What is the SMILES notation for 3-N-(4-ethylcyclohexyl)-3-N-methylpyrazine-2,3-diamine?
The canonical SMILES for 3-N-(4-ethylcyclohexyl)-3-N-methylpyrazine-2,3-diamine is CCC1CCC(N(C)c2nccnc2N)CC1.
What is the InChIKey of 3-N-(4-ethylcyclohexyl)-3-N-methylpyrazine-2,3-diamine?
The InChIKey is QTHGLHFUMJNUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-3-10-4-6-11(7-5-10)17(2)13-12(14)15-8-9-16-13/h8-11H,3-7H2,1-2H3,(H2,14,15).
What are the key properties of 3-N-(4-ethylcyclohexyl)-3-N-methylpyrazine-2,3-diamine?
3-N-(4-ethylcyclohexyl)-3-N-methylpyrazine-2,3-diamine has a molecular weight of 234.35 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-ethylcyclohexyl)-3-N-methylpyrazine-2,3-diamine is sourced from PubChem (CID 102986160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).