3,5-dimethyl-2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]cyclohexan-1-one

C15H27NO — CID 64736206

IUPAC3,5-dimethyl-2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]cyclohexan-1-one
SMILESCC1CC(=O)C(CN(C)CC2CC2C)C(C)C1
InChIInChI=1S/C15H27NO/c1-10-5-12(3)14(15(17)6-10)9-16(4)8-13-7-11(13)2/h10-14H,5-9H2,1-4H3
InChIKeyXOXWOSCDVPXSIG-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.83
Rot. Bonds4

About 3,5-dimethyl-2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]cyclohexan-1-one

3,5-dimethyl-2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]cyclohexan-1-one (PubChem CID 64736206) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 3,5-dimethyl-2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]cyclohexan-1-one.

Molecular Properties

Compound Name3,5-dimethyl-2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]cyclohexan-1-one
PubChem CID64736206
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name3,5-dimethyl-2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]cyclohexan-1-one
SMILESCC1CC(=O)C(CN(C)CC2CC2C)C(C)C1
InChIInChI=1S/C15H27NO/c1-10-5-12(3)14(15(17)6-10)9-16(4)8-13-7-11(13)2/h10-14H,5-9H2,1-4H3
InChIKeyXOXWOSCDVPXSIG-UHFFFAOYSA-N
XLogP2.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]cyclohexan-1-one?
The IUPAC name of 3,5-dimethyl-2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]cyclohexan-1-one (CID 64736206) is 3,5-dimethyl-2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]cyclohexan-1-one.
What is the SMILES notation for 3,5-dimethyl-2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]cyclohexan-1-one?
The canonical SMILES for 3,5-dimethyl-2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]cyclohexan-1-one is CC1CC(=O)C(CN(C)CC2CC2C)C(C)C1.
What is the InChIKey of 3,5-dimethyl-2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]cyclohexan-1-one?
The InChIKey is XOXWOSCDVPXSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-10-5-12(3)14(15(17)6-10)9-16(4)8-13-7-11(13)2/h10-14H,5-9H2,1-4H3.
What are the key properties of 3,5-dimethyl-2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]cyclohexan-1-one?
3,5-dimethyl-2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]cyclohexan-1-one has a molecular weight of 237.39 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]cyclohexan-1-one is sourced from PubChem (CID 64736206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).