4-amino-2-methyl-N-(oxan-2-ylmethyl)cyclohexane-1-carboxamide

C14H26N2O2 — CID 62783252

IUPAC4-amino-2-methyl-N-(oxan-2-ylmethyl)cyclohexane-1-carboxamide
SMILESCC1CC(N)CCC1C(=O)NCC1CCCCO1
InChIInChI=1S/C14H26N2O2/c1-10-8-11(15)5-6-13(10)14(17)16-9-12-4-2-3-7-18-12/h10-13H,2-9,15H2,1H3,(H,16,17)
InChIKeyCCTHFGDMUDIOKZ-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.44
Rot. Bonds3

About 4-amino-2-methyl-N-(oxan-2-ylmethyl)cyclohexane-1-carboxamide

4-amino-2-methyl-N-(oxan-2-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 62783252) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 4-amino-2-methyl-N-(oxan-2-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-2-methyl-N-(oxan-2-ylmethyl)cyclohexane-1-carboxamide
PubChem CID62783252
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name4-amino-2-methyl-N-(oxan-2-ylmethyl)cyclohexane-1-carboxamide
SMILESCC1CC(N)CCC1C(=O)NCC1CCCCO1
InChIInChI=1S/C14H26N2O2/c1-10-8-11(15)5-6-13(10)14(17)16-9-12-4-2-3-7-18-12/h10-13H,2-9,15H2,1H3,(H,16,17)
InChIKeyCCTHFGDMUDIOKZ-UHFFFAOYSA-N
XLogP1.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-2-methyl-N-[(2-methylcyclohexyl)methyl]cyclohexane-1-carboxamide
CID 55116865
2-amino-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide
CID 114995836
2-(oxolan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 3119934
2-(3-aminocyclohexyl)-N-(oxan-2-ylmethyl)acetamide
CID 55116671
2,2-dimethyl-3-(oxan-2-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 64835049
1-N-(2-methylpropyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109131415
4-amino-2-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 62782165
N-[(3-aminocyclopentyl)methyl]oxane-2-carboxamide
CID 106121843
6-methyl-N-(oxan-2-ylmethyl)piperidine-2-carboxamide
CID 55013596
2-amino-3-methyl-N-[2-(oxolan-2-yl)ethyl]cyclohexane-1-carboxamide
CID 55117010
2-amino-2-methyl-N-(oxan-2-ylmethyl)propanamide;hydrochloride
CID 119300308
4-amino-N-[2-(dimethylamino)-2-oxoethyl]-2-methylcyclohexane-1-carboxamide
CID 62782833

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-N-(oxan-2-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-2-methyl-N-(oxan-2-ylmethyl)cyclohexane-1-carboxamide (CID 62783252) is 4-amino-2-methyl-N-(oxan-2-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-2-methyl-N-(oxan-2-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-2-methyl-N-(oxan-2-ylmethyl)cyclohexane-1-carboxamide is CC1CC(N)CCC1C(=O)NCC1CCCCO1.
What is the InChIKey of 4-amino-2-methyl-N-(oxan-2-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is CCTHFGDMUDIOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-10-8-11(15)5-6-13(10)14(17)16-9-12-4-2-3-7-18-12/h10-13H,2-9,15H2,1H3,(H,16,17).
What are the key properties of 4-amino-2-methyl-N-(oxan-2-ylmethyl)cyclohexane-1-carboxamide?
4-amino-2-methyl-N-(oxan-2-ylmethyl)cyclohexane-1-carboxamide has a molecular weight of 254.37 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-N-(oxan-2-ylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 62783252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).