2-[[methyl(oxan-3-ylmethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-one

C17H31NO2 — CID 63712336

IUPAC2-[[methyl(oxan-3-ylmethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-one
SMILESCC(C)C1CCC(=O)C(CN(C)CC2CCCOC2)C1
InChIInChI=1S/C17H31NO2/c1-13(2)15-6-7-17(19)16(9-15)11-18(3)10-14-5-4-8-20-12-14/h13-16H,4-12H2,1-3H3
InChIKeyIWIJEHGUUQQUFY-UHFFFAOYSA-N
MW281.44 g/mol
LogP2.99
Rot. Bonds5

About 2-[[methyl(oxan-3-ylmethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-one

2-[[methyl(oxan-3-ylmethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-one (PubChem CID 63712336) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-[[methyl(oxan-3-ylmethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-one.

Molecular Properties

Compound Name2-[[methyl(oxan-3-ylmethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-one
PubChem CID63712336
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name2-[[methyl(oxan-3-ylmethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-one
SMILESCC(C)C1CCC(=O)C(CN(C)CC2CCCOC2)C1
InChIInChI=1S/C17H31NO2/c1-13(2)15-6-7-17(19)16(9-15)11-18(3)10-14-5-4-8-20-12-14/h13-16H,4-12H2,1-3H3
InChIKeyIWIJEHGUUQQUFY-UHFFFAOYSA-N
XLogP2.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-one
CID 63236354
2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-4-propan-2-ylcyclohexan-1-one
CID 105417071
2-(oxan-4-ylmethyl)-4-propan-2-ylcyclohexan-1-one
CID 62740751
3-[[cyclopropylmethyl(methyl)amino]methyl]oxan-4-one
CID 103057758
3-[[methyl(oxan-3-ylmethyl)amino]methyl]cyclopentan-1-amine
CID 66010095
2-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-one
CID 62707930
2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-one
CID 62707741
2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-one
CID 62704331
N,N-dimethyl-1-[(3R)-oxan-3-yl]methanamine
CID 175701227
2-[[methyl(thiolan-3-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-one
CID 62704880
2-[[2-methylpropyl(pentan-3-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-one
CID 79491622
N-methyl-N-(oxan-3-ylmethyl)hydroxylamine
CID 82594564

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(oxan-3-ylmethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-one?
The IUPAC name of 2-[[methyl(oxan-3-ylmethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-one (CID 63712336) is 2-[[methyl(oxan-3-ylmethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-one.
What is the SMILES notation for 2-[[methyl(oxan-3-ylmethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-one?
The canonical SMILES for 2-[[methyl(oxan-3-ylmethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-one is CC(C)C1CCC(=O)C(CN(C)CC2CCCOC2)C1.
What is the InChIKey of 2-[[methyl(oxan-3-ylmethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-one?
The InChIKey is IWIJEHGUUQQUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-13(2)15-6-7-17(19)16(9-15)11-18(3)10-14-5-4-8-20-12-14/h13-16H,4-12H2,1-3H3.
What are the key properties of 2-[[methyl(oxan-3-ylmethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-one?
2-[[methyl(oxan-3-ylmethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-one has a molecular weight of 281.44 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(oxan-3-ylmethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-one is sourced from PubChem (CID 63712336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).