2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-4-propan-2-ylcyclohexan-1-one

C18H34N2O — CID 105417071

IUPAC2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-4-propan-2-ylcyclohexan-1-one
SMILESCC(C)C1CCC(=O)C(CN(C)CC2(N(C)C)CCC2)C1
InChIInChI=1S/C18H34N2O/c1-14(2)15-7-8-17(21)16(11-15)12-20(5)13-18(19(3)4)9-6-10-18/h14-16H,6-13H2,1-5H3
InChIKeyBEBOMKVVSQNSOY-UHFFFAOYSA-N
MW294.48 g/mol
LogP3.04
Rot. Bonds6

About 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-4-propan-2-ylcyclohexan-1-one

2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-4-propan-2-ylcyclohexan-1-one (PubChem CID 105417071) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-4-propan-2-ylcyclohexan-1-one.

Molecular Properties

Compound Name2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-4-propan-2-ylcyclohexan-1-one
PubChem CID105417071
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-4-propan-2-ylcyclohexan-1-one
SMILESCC(C)C1CCC(=O)C(CN(C)CC2(N(C)C)CCC2)C1
InChIInChI=1S/C18H34N2O/c1-14(2)15-7-8-17(21)16(11-15)12-20(5)13-18(19(3)4)9-6-10-18/h14-16H,6-13H2,1-5H3
InChIKeyBEBOMKVVSQNSOY-UHFFFAOYSA-N
XLogP3.04
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-4-propan-2-ylcyclohexan-1-one with MolForge

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Launch Full Analysis

Related Compounds

2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-one
CID 63236354
2-[[methyl(oxan-3-ylmethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-one
CID 63712336
2-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-one
CID 62707930
2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-one
CID 62704331
2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-one
CID 62707741
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
2-(oxan-4-ylmethyl)-4-propan-2-ylcyclohexan-1-one
CID 62740751
4-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]cyclohexan-1-amine
CID 105421357
2-[(N-ethyl-4-methylanilino)methyl]-4-propan-2-ylcyclohexan-1-one
CID 63483008
2-(3,3-dimethylbutyl)-4-propan-2-ylcyclohexan-1-one
CID 63399886
2-[(E)-3-chloroprop-2-enyl]-4-propan-2-ylcyclohexan-1-one
CID 107900844

Frequently Asked Questions

What is the IUPAC name of 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-4-propan-2-ylcyclohexan-1-one?
The IUPAC name of 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-4-propan-2-ylcyclohexan-1-one (CID 105417071) is 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-4-propan-2-ylcyclohexan-1-one.
What is the SMILES notation for 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-4-propan-2-ylcyclohexan-1-one?
The canonical SMILES for 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-4-propan-2-ylcyclohexan-1-one is CC(C)C1CCC(=O)C(CN(C)CC2(N(C)C)CCC2)C1.
What is the InChIKey of 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-4-propan-2-ylcyclohexan-1-one?
The InChIKey is BEBOMKVVSQNSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-14(2)15-7-8-17(21)16(11-15)12-20(5)13-18(19(3)4)9-6-10-18/h14-16H,6-13H2,1-5H3.
What are the key properties of 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-4-propan-2-ylcyclohexan-1-one?
2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-4-propan-2-ylcyclohexan-1-one has a molecular weight of 294.48 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-4-propan-2-ylcyclohexan-1-one is sourced from PubChem (CID 105417071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).