4,4-dimethyl-1-[(1-pyrazin-2-ylethylamino)methyl]cyclohexan-1-ol

C15H25N3O — CID 65115500

IUPAC4,4-dimethyl-1-[(1-pyrazin-2-ylethylamino)methyl]cyclohexan-1-ol
SMILESCC(NCC1(O)CCC(C)(C)CC1)c1cnccn1
InChIInChI=1S/C15H25N3O/c1-12(13-10-16-8-9-17-13)18-11-15(19)6-4-14(2,3)5-7-15/h8-10,12,18-19H,4-7,11H2,1-3H3
InChIKeyOKWXFZAZSDCQLV-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.46
Rot. Bonds4

About 4,4-dimethyl-1-[(1-pyrazin-2-ylethylamino)methyl]cyclohexan-1-ol

4,4-dimethyl-1-[(1-pyrazin-2-ylethylamino)methyl]cyclohexan-1-ol (PubChem CID 65115500) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 4,4-dimethyl-1-[(1-pyrazin-2-ylethylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-[(1-pyrazin-2-ylethylamino)methyl]cyclohexan-1-ol
PubChem CID65115500
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name4,4-dimethyl-1-[(1-pyrazin-2-ylethylamino)methyl]cyclohexan-1-ol
SMILESCC(NCC1(O)CCC(C)(C)CC1)c1cnccn1
InChIInChI=1S/C15H25N3O/c1-12(13-10-16-8-9-17-13)18-11-15(19)6-4-14(2,3)5-7-15/h8-10,12,18-19H,4-7,11H2,1-3H3
InChIKeyOKWXFZAZSDCQLV-UHFFFAOYSA-N
XLogP2.46
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[(1-pyrazin-2-ylethylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 4,4-dimethyl-1-[(1-pyrazin-2-ylethylamino)methyl]cyclohexan-1-ol (CID 65115500) is 4,4-dimethyl-1-[(1-pyrazin-2-ylethylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4,4-dimethyl-1-[(1-pyrazin-2-ylethylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 4,4-dimethyl-1-[(1-pyrazin-2-ylethylamino)methyl]cyclohexan-1-ol is CC(NCC1(O)CCC(C)(C)CC1)c1cnccn1.
What is the InChIKey of 4,4-dimethyl-1-[(1-pyrazin-2-ylethylamino)methyl]cyclohexan-1-ol?
The InChIKey is OKWXFZAZSDCQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-12(13-10-16-8-9-17-13)18-11-15(19)6-4-14(2,3)5-7-15/h8-10,12,18-19H,4-7,11H2,1-3H3.
What are the key properties of 4,4-dimethyl-1-[(1-pyrazin-2-ylethylamino)methyl]cyclohexan-1-ol?
4,4-dimethyl-1-[(1-pyrazin-2-ylethylamino)methyl]cyclohexan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[(1-pyrazin-2-ylethylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 65115500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).