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

C14H26N2O2 — CID 55116671

IUPAC2-(3-aminocyclohexyl)-N-(oxan-2-ylmethyl)acetamide
SMILESNC1CCCC(CC(=O)NCC2CCCCO2)C1
InChIInChI=1S/C14H26N2O2/c15-12-5-3-4-11(8-12)9-14(17)16-10-13-6-1-2-7-18-13/h11-13H,1-10,15H2,(H,16,17)
InChIKeyPWFQZQHGDOCMHH-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.58
Rot. Bonds4

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

2-(3-aminocyclohexyl)-N-(oxan-2-ylmethyl)acetamide (PubChem CID 55116671) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-(3-aminocyclohexyl)-N-(oxan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-aminocyclohexyl)-N-(oxan-2-ylmethyl)acetamide
PubChem CID55116671
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name2-(3-aminocyclohexyl)-N-(oxan-2-ylmethyl)acetamide
SMILESNC1CCCC(CC(=O)NCC2CCCCO2)C1
InChIInChI=1S/C14H26N2O2/c15-12-5-3-4-11(8-12)9-14(17)16-10-13-6-1-2-7-18-13/h11-13H,1-10,15H2,(H,16,17)
InChIKeyPWFQZQHGDOCMHH-UHFFFAOYSA-N
XLogP1.58
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 94814349
2-cyclohexyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1072431
3-[(oxolan-2-ylmethylamino)methyl]cyclohexan-1-amine
CID 63046122
N-[(3-aminocyclohexyl)methyl]-2-cyclohexylacetamide
CID 106123088
2-(3-aminocyclohexyl)-N-(oxolan-3-ylmethyl)acetamide
CID 62825268
2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 110696563
4-amino-2-methyl-N-(oxan-2-ylmethyl)cyclohexane-1-carboxamide
CID 62783252
N-[(4-aminocyclohexyl)methyl]-2-(oxolan-2-yl)acetamide
CID 114146669
N-(oxan-2-ylmethyl)-2-piperidin-2-ylacetamide
CID 55013597
N-[(2-aminocyclohexyl)methyl]-2-(oxolan-2-yl)acetamide
CID 65159597
N-[[(2R)-oxolan-2-yl]methyl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 7437120
2-(3-aminocyclohexyl)-N-(oxolan-2-ylmethyl)propanamide
CID 106592649

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminocyclohexyl)-N-(oxan-2-ylmethyl)acetamide?
The IUPAC name of 2-(3-aminocyclohexyl)-N-(oxan-2-ylmethyl)acetamide (CID 55116671) is 2-(3-aminocyclohexyl)-N-(oxan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-aminocyclohexyl)-N-(oxan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3-aminocyclohexyl)-N-(oxan-2-ylmethyl)acetamide is NC1CCCC(CC(=O)NCC2CCCCO2)C1.
What is the InChIKey of 2-(3-aminocyclohexyl)-N-(oxan-2-ylmethyl)acetamide?
The InChIKey is PWFQZQHGDOCMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c15-12-5-3-4-11(8-12)9-14(17)16-10-13-6-1-2-7-18-13/h11-13H,1-10,15H2,(H,16,17).
What are the key properties of 2-(3-aminocyclohexyl)-N-(oxan-2-ylmethyl)acetamide?
2-(3-aminocyclohexyl)-N-(oxan-2-ylmethyl)acetamide has a molecular weight of 254.37 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminocyclohexyl)-N-(oxan-2-ylmethyl)acetamide is sourced from PubChem (CID 55116671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).