4-[[(2-cyclohexyl-2-methylpropyl)amino]methyl]cyclohexan-1-one

C17H31NO — CID 115240315

IUPAC4-[[(2-cyclohexyl-2-methylpropyl)amino]methyl]cyclohexan-1-one
SMILESCC(C)(CNCC1CCC(=O)CC1)C1CCCCC1
InChIInChI=1S/C17H31NO/c1-17(2,15-6-4-3-5-7-15)13-18-12-14-8-10-16(19)11-9-14/h14-15,18H,3-13H2,1-2H3
InChIKeyDPEFWORSJIAUJW-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.94
Rot. Bonds5

About 4-[[(2-cyclohexyl-2-methylpropyl)amino]methyl]cyclohexan-1-one

4-[[(2-cyclohexyl-2-methylpropyl)amino]methyl]cyclohexan-1-one (PubChem CID 115240315) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 4-[[(2-cyclohexyl-2-methylpropyl)amino]methyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-[[(2-cyclohexyl-2-methylpropyl)amino]methyl]cyclohexan-1-one
PubChem CID115240315
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name4-[[(2-cyclohexyl-2-methylpropyl)amino]methyl]cyclohexan-1-one
SMILESCC(C)(CNCC1CCC(=O)CC1)C1CCCCC1
InChIInChI=1S/C17H31NO/c1-17(2,15-6-4-3-5-7-15)13-18-12-14-8-10-16(19)11-9-14/h14-15,18H,3-13H2,1-2H3
InChIKeyDPEFWORSJIAUJW-UHFFFAOYSA-N
XLogP3.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(2-cyclopentyl-2-methylpropyl)amino]methyl]cyclohexan-1-ol
CID 115239975
N-(azetidin-3-ylmethyl)-2-cyclohexyl-2-methylpropan-1-amine
CID 115208032
2-[(2-cyclohexyl-2-methylpropyl)amino]acetaldehyde
CID 115223611
2-[(2-cyclohexyl-2-methylpropyl)amino]ethanol
CID 115216597
4-[[(2-cyclobutyl-2-methylpropyl)amino]methyl]-N-methylcyclohexan-1-amine
CID 115213767
1-N-(2-cyclopentyl-2-methylpropyl)-2-methylpropane-1,2-diamine
CID 115136380
2-cyclopentyl-2-methyl-N-(oxolan-3-ylmethyl)propan-1-amine
CID 115888052
methyl 2-[(2-cyclopentyl-2-methylpropyl)amino]acetate
CID 115233257
N-(cyclopropylmethyl)-2-methyl-2-(oxan-4-yl)propan-1-amine
CID 165466110
2-cyclobutyl-2-methyl-N-(piperidin-2-ylmethyl)propan-1-amine
CID 115209472
N-[2-methyl-2-(4-oxocyclohexyl)propyl]methanesulfonamide
CID 18714022
2-cyclobutyl-2-methyl-N-(piperidin-3-ylmethyl)propan-1-amine
CID 115209786

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-cyclohexyl-2-methylpropyl)amino]methyl]cyclohexan-1-one?
The IUPAC name of 4-[[(2-cyclohexyl-2-methylpropyl)amino]methyl]cyclohexan-1-one (CID 115240315) is 4-[[(2-cyclohexyl-2-methylpropyl)amino]methyl]cyclohexan-1-one.
What is the SMILES notation for 4-[[(2-cyclohexyl-2-methylpropyl)amino]methyl]cyclohexan-1-one?
The canonical SMILES for 4-[[(2-cyclohexyl-2-methylpropyl)amino]methyl]cyclohexan-1-one is CC(C)(CNCC1CCC(=O)CC1)C1CCCCC1.
What is the InChIKey of 4-[[(2-cyclohexyl-2-methylpropyl)amino]methyl]cyclohexan-1-one?
The InChIKey is DPEFWORSJIAUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-17(2,15-6-4-3-5-7-15)13-18-12-14-8-10-16(19)11-9-14/h14-15,18H,3-13H2,1-2H3.
What are the key properties of 4-[[(2-cyclohexyl-2-methylpropyl)amino]methyl]cyclohexan-1-one?
4-[[(2-cyclohexyl-2-methylpropyl)amino]methyl]cyclohexan-1-one has a molecular weight of 265.44 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-cyclohexyl-2-methylpropyl)amino]methyl]cyclohexan-1-one is sourced from PubChem (CID 115240315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).