3-chloro-N-(3,3,5,5-tetramethylcyclohexyl)pyrazin-2-amine

C14H22ClN3 — CID 103968163

IUPAC3-chloro-N-(3,3,5,5-tetramethylcyclohexyl)pyrazin-2-amine
SMILESCC1(C)CC(Nc2nccnc2Cl)CC(C)(C)C1
InChIInChI=1S/C14H22ClN3/c1-13(2)7-10(8-14(3,4)9-13)18-12-11(15)16-5-6-17-12/h5-6,10H,7-9H2,1-4H3,(H,17,18)
InChIKeyMQQVOKFWHQZANU-UHFFFAOYSA-N
MW267.80 g/mol
LogP4.15
Rot. Bonds2

About 3-chloro-N-(3,3,5,5-tetramethylcyclohexyl)pyrazin-2-amine

3-chloro-N-(3,3,5,5-tetramethylcyclohexyl)pyrazin-2-amine (PubChem CID 103968163) has the molecular formula C14H22ClN3 and a molecular weight of 267.80 g/mol. Its IUPAC name is 3-chloro-N-(3,3,5,5-tetramethylcyclohexyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-chloro-N-(3,3,5,5-tetramethylcyclohexyl)pyrazin-2-amine
PubChem CID103968163
Molecular FormulaC14H22ClN3
Molecular Weight267.80 g/mol
Exact Mass267.15
IUPAC Name3-chloro-N-(3,3,5,5-tetramethylcyclohexyl)pyrazin-2-amine
SMILESCC1(C)CC(Nc2nccnc2Cl)CC(C)(C)C1
InChIInChI=1S/C14H22ClN3/c1-13(2)7-10(8-14(3,4)9-13)18-12-11(15)16-5-6-17-12/h5-6,10H,7-9H2,1-4H3,(H,17,18)
InChIKeyMQQVOKFWHQZANU-UHFFFAOYSA-N
XLogP4.15
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-4-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidine-4,5-diamine
CID 103965332
3,5,6-trichloro-N-(3,3,5,5-tetramethylcyclohexyl)pyridin-2-amine
CID 102751760
N-(azetidin-3-yl)-3-chloropyrazin-2-amine
CID 121204705
6-chloro-2-N-(3,3,5,5-tetramethylcyclohexyl)pyridine-2,3-diamine
CID 103965270
3,5-dichloro-6-N-(3,3,5,5-tetramethylcyclohexyl)pyridine-2,6-diamine
CID 102759574
2-[(3,3,5,5-tetramethylcyclohexyl)amino]pyridine-3-carbothioamide
CID 103966872
3-bromo-4-methyl-2-N-(3,3,5,5-tetramethylcyclohexyl)pyridine-2,5-diamine
CID 104507129
1-propan-2-yl-N-(3,3,5,5-tetramethylcyclohexyl)imidazol-2-amine
CID 106579835
3-chloro-N-(thiolan-3-yl)pyrazin-2-amine
CID 103064284
1-propyl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]pyrazin-2-one
CID 103967207
6-methoxy-5-methyl-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidin-4-amine
CID 103967116
3-N-(3,3-dimethylcyclopentyl)pyrazine-2,3-diamine
CID 103883799

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3,3,5,5-tetramethylcyclohexyl)pyrazin-2-amine?
The IUPAC name of 3-chloro-N-(3,3,5,5-tetramethylcyclohexyl)pyrazin-2-amine (CID 103968163) is 3-chloro-N-(3,3,5,5-tetramethylcyclohexyl)pyrazin-2-amine.
What is the SMILES notation for 3-chloro-N-(3,3,5,5-tetramethylcyclohexyl)pyrazin-2-amine?
The canonical SMILES for 3-chloro-N-(3,3,5,5-tetramethylcyclohexyl)pyrazin-2-amine is CC1(C)CC(Nc2nccnc2Cl)CC(C)(C)C1.
What is the InChIKey of 3-chloro-N-(3,3,5,5-tetramethylcyclohexyl)pyrazin-2-amine?
The InChIKey is MQQVOKFWHQZANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3/c1-13(2)7-10(8-14(3,4)9-13)18-12-11(15)16-5-6-17-12/h5-6,10H,7-9H2,1-4H3,(H,17,18).
What are the key properties of 3-chloro-N-(3,3,5,5-tetramethylcyclohexyl)pyrazin-2-amine?
3-chloro-N-(3,3,5,5-tetramethylcyclohexyl)pyrazin-2-amine has a molecular weight of 267.80 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3,3,5,5-tetramethylcyclohexyl)pyrazin-2-amine is sourced from PubChem (CID 103968163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).