2-(4-aminocyclohexyl)-N-methyl-N-(oxan-4-ylmethyl)acetamide

C15H28N2O2 — CID 55226080

IUPAC2-(4-aminocyclohexyl)-N-methyl-N-(oxan-4-ylmethyl)acetamide
SMILESCN(CC1CCOCC1)C(=O)CC1CCC(N)CC1
InChIInChI=1S/C15H28N2O2/c1-17(11-13-6-8-19-9-7-13)15(18)10-12-2-4-14(16)5-3-12/h12-14H,2-11,16H2,1H3
InChIKeyWWNNSQLTQLYMJV-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.78
Rot. Bonds4

About 2-(4-aminocyclohexyl)-N-methyl-N-(oxan-4-ylmethyl)acetamide

2-(4-aminocyclohexyl)-N-methyl-N-(oxan-4-ylmethyl)acetamide (PubChem CID 55226080) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-(4-aminocyclohexyl)-N-methyl-N-(oxan-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-aminocyclohexyl)-N-methyl-N-(oxan-4-ylmethyl)acetamide
PubChem CID55226080
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name2-(4-aminocyclohexyl)-N-methyl-N-(oxan-4-ylmethyl)acetamide
SMILESCN(CC1CCOCC1)C(=O)CC1CCC(N)CC1
InChIInChI=1S/C15H28N2O2/c1-17(11-13-6-8-19-9-7-13)15(18)10-12-2-4-14(16)5-3-12/h12-14H,2-11,16H2,1H3
InChIKeyWWNNSQLTQLYMJV-UHFFFAOYSA-N
XLogP1.78
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-aminocyclohexyl)-N-methyl-N-(oxan-3-ylmethyl)acetamide
CID 63706765
N-(4-aminocyclohexyl)-N-methyl-2-(oxan-4-yl)acetamide
CID 115277521
2-(4-aminocyclohexyl)-N-ethyl-N-methylacetamide
CID 62783165
2-(1-aminocyclobutyl)-N-methyl-N-(oxan-4-ylmethyl)acetamide
CID 79853707
N-(3-amino-2-methylpropyl)-N-methyl-2-(oxan-4-yl)acetamide
CID 115272471
2-(4-aminocyclohexyl)-N,N-dimethylacetamide
CID 62781479
2-(4-aminocyclohexyl)-N-(2-amino-2-oxoethyl)-N-methylacetamide
CID 62782843
5-amino-N-methyl-N-(oxan-4-ylmethyl)hexanamide
CID 82852241
2-amino-N-[2-[methyl(oxan-4-ylmethyl)amino]-2-oxoethyl]acetamide
CID 63707976
3-(2-aminoethoxy)-N-methyl-N-(oxan-4-ylmethyl)propanamide
CID 112739036
2-amino-N,6-dimethyl-N-(oxan-4-ylmethyl)cyclohexane-1-carboxamide
CID 63707626
3-amino-N,2,2,3-tetramethyl-N-(oxan-4-ylmethyl)butanamide
CID 65267378

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminocyclohexyl)-N-methyl-N-(oxan-4-ylmethyl)acetamide?
The IUPAC name of 2-(4-aminocyclohexyl)-N-methyl-N-(oxan-4-ylmethyl)acetamide (CID 55226080) is 2-(4-aminocyclohexyl)-N-methyl-N-(oxan-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-aminocyclohexyl)-N-methyl-N-(oxan-4-ylmethyl)acetamide?
The canonical SMILES for 2-(4-aminocyclohexyl)-N-methyl-N-(oxan-4-ylmethyl)acetamide is CN(CC1CCOCC1)C(=O)CC1CCC(N)CC1.
What is the InChIKey of 2-(4-aminocyclohexyl)-N-methyl-N-(oxan-4-ylmethyl)acetamide?
The InChIKey is WWNNSQLTQLYMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-17(11-13-6-8-19-9-7-13)15(18)10-12-2-4-14(16)5-3-12/h12-14H,2-11,16H2,1H3.
What are the key properties of 2-(4-aminocyclohexyl)-N-methyl-N-(oxan-4-ylmethyl)acetamide?
2-(4-aminocyclohexyl)-N-methyl-N-(oxan-4-ylmethyl)acetamide has a molecular weight of 268.40 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminocyclohexyl)-N-methyl-N-(oxan-4-ylmethyl)acetamide is sourced from PubChem (CID 55226080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).