6-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-2,2-dimethylcyclohexan-1-one

C16H27NO — CID 79852374

IUPAC6-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-2,2-dimethylcyclohexan-1-one
SMILESCC1(C)CCCC(CN(CC2CC2)C2CC2)C1=O
InChIInChI=1S/C16H27NO/c1-16(2)9-3-4-13(15(16)18)11-17(14-7-8-14)10-12-5-6-12/h12-14H,3-11H2,1-2H3
InChIKeyQFMSQIPGOVYWPX-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.26
Rot. Bonds5

About 6-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-2,2-dimethylcyclohexan-1-one

6-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-2,2-dimethylcyclohexan-1-one (PubChem CID 79852374) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 6-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-2,2-dimethylcyclohexan-1-one.

Molecular Properties

Compound Name6-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-2,2-dimethylcyclohexan-1-one
PubChem CID79852374
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name6-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-2,2-dimethylcyclohexan-1-one
SMILESCC1(C)CCCC(CN(CC2CC2)C2CC2)C1=O
InChIInChI=1S/C16H27NO/c1-16(2)9-3-4-13(15(16)18)11-17(14-7-8-14)10-12-5-6-12/h12-14H,3-11H2,1-2H3
InChIKeyQFMSQIPGOVYWPX-UHFFFAOYSA-N
XLogP3.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-[(dimethylamino)methyl]-2,2-dimethylcyclohexan-1-one
CID 69350867
2-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-4,4-dimethylcyclohexan-1-one
CID 64522837
2,2-dimethyl-6-[[methyl(propyl)amino]methyl]cyclohexan-1-one
CID 79852451
2,2-dimethyl-6-[[methyl(oxan-4-yl)amino]methyl]cyclohexan-1-one
CID 79852982
2,2-dimethyl-6-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexan-1-one
CID 112664506
6-[[1-hydroxypropan-2-yl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-one
CID 104554486
2,2-dimethyl-6-[[methyl(4-methylpentan-2-yl)amino]methyl]cyclohexan-1-one
CID 79852813
6-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-one
CID 79852288
6-[[2-hydroxyethyl(propyl)amino]methyl]-2,2-dimethylcyclohexan-1-one
CID 79853156
6-[[3-methoxypropyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-one
CID 79853251
2,2-dimethyl-6-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-one
CID 79852369
6-[[2-ethoxyethyl(ethyl)amino]methyl]-2,2-dimethylcyclohexan-1-one
CID 79852372

Frequently Asked Questions

What is the IUPAC name of 6-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-2,2-dimethylcyclohexan-1-one?
The IUPAC name of 6-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-2,2-dimethylcyclohexan-1-one (CID 79852374) is 6-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-2,2-dimethylcyclohexan-1-one.
What is the SMILES notation for 6-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-2,2-dimethylcyclohexan-1-one?
The canonical SMILES for 6-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-2,2-dimethylcyclohexan-1-one is CC1(C)CCCC(CN(CC2CC2)C2CC2)C1=O.
What is the InChIKey of 6-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-2,2-dimethylcyclohexan-1-one?
The InChIKey is QFMSQIPGOVYWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-16(2)9-3-4-13(15(16)18)11-17(14-7-8-14)10-12-5-6-12/h12-14H,3-11H2,1-2H3.
What are the key properties of 6-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-2,2-dimethylcyclohexan-1-one?
6-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-2,2-dimethylcyclohexan-1-one has a molecular weight of 249.40 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-2,2-dimethylcyclohexan-1-one is sourced from PubChem (CID 79852374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).