2-(4-aminocyclohexyl)-N-methyl-N-(oxan-3-ylmethyl)acetamide

C15H28N2O2 — CID 63706765

IUPAC2-(4-aminocyclohexyl)-N-methyl-N-(oxan-3-ylmethyl)acetamide
SMILESCN(CC1CCCOC1)C(=O)CC1CCC(N)CC1
InChIInChI=1S/C15H28N2O2/c1-17(10-13-3-2-8-19-11-13)15(18)9-12-4-6-14(16)7-5-12/h12-14H,2-11,16H2,1H3
InChIKeyRVLQDIPYQGPHJJ-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.78
Rot. Bonds4

About 2-(4-aminocyclohexyl)-N-methyl-N-(oxan-3-ylmethyl)acetamide

2-(4-aminocyclohexyl)-N-methyl-N-(oxan-3-ylmethyl)acetamide (PubChem CID 63706765) 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-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-aminocyclohexyl)-N-methyl-N-(oxan-3-ylmethyl)acetamide
PubChem CID63706765
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name2-(4-aminocyclohexyl)-N-methyl-N-(oxan-3-ylmethyl)acetamide
SMILESCN(CC1CCCOC1)C(=O)CC1CCC(N)CC1
InChIInChI=1S/C15H28N2O2/c1-17(10-13-3-2-8-19-11-13)15(18)9-12-4-6-14(16)7-5-12/h12-14H,2-11,16H2,1H3
InChIKeyRVLQDIPYQGPHJJ-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-4-ylmethyl)acetamide
CID 55226080
3-amino-N-methyl-N-(oxan-3-ylmethyl)propanamide
CID 63712787
1-methyl-1-(oxan-3-ylmethyl)urea
CID 63712445
3-amino-N,3-dimethyl-N-(oxan-3-ylmethyl)butanamide
CID 64677670
ethyl 4-[methyl(oxan-3-ylmethyl)amino]-4-oxobutanoate
CID 63717734
2-(cyclopentylamino)-N-methyl-N-(oxan-3-ylmethyl)acetamide
CID 63712361
2-(tert-butylamino)-N-methyl-N-(oxan-3-ylmethyl)acetamide
CID 78949570
2-(4-aminocyclohexyl)-N-ethyl-N-methylacetamide
CID 62783165
3-[[methyl(oxan-3-ylmethyl)amino]methyl]cyclopentan-1-amine
CID 66010095
N-methyl-N-(oxan-3-ylmethyl)hydroxylamine
CID 82594564
2,2-dimethyl-3-[methyl(oxan-3-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 64837348
2-amino-N,2-dimethyl-N-(oxan-3-ylmethyl)butanamide
CID 79811911

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminocyclohexyl)-N-methyl-N-(oxan-3-ylmethyl)acetamide?
The IUPAC name of 2-(4-aminocyclohexyl)-N-methyl-N-(oxan-3-ylmethyl)acetamide (CID 63706765) is 2-(4-aminocyclohexyl)-N-methyl-N-(oxan-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-aminocyclohexyl)-N-methyl-N-(oxan-3-ylmethyl)acetamide?
The canonical SMILES for 2-(4-aminocyclohexyl)-N-methyl-N-(oxan-3-ylmethyl)acetamide is CN(CC1CCCOC1)C(=O)CC1CCC(N)CC1.
What is the InChIKey of 2-(4-aminocyclohexyl)-N-methyl-N-(oxan-3-ylmethyl)acetamide?
The InChIKey is RVLQDIPYQGPHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-17(10-13-3-2-8-19-11-13)15(18)9-12-4-6-14(16)7-5-12/h12-14H,2-11,16H2,1H3.
What are the key properties of 2-(4-aminocyclohexyl)-N-methyl-N-(oxan-3-ylmethyl)acetamide?
2-(4-aminocyclohexyl)-N-methyl-N-(oxan-3-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-3-ylmethyl)acetamide is sourced from PubChem (CID 63706765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).