4-amino-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide

C13H25N3O2 — CID 79081947

IUPAC4-amino-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide
SMILESCN1CCOC(CNC(=O)C2CCC(N)CC2)C1
InChIInChI=1S/C13H25N3O2/c1-16-6-7-18-12(9-16)8-15-13(17)10-2-4-11(14)5-3-10/h10-12H,2-9,14H2,1H3,(H,15,17)
InChIKeySBAGPFMESXXJRD-UHFFFAOYSA-N
MW255.36 g/mol
LogP-0.05
Rot. Bonds3

About 4-amino-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide

4-amino-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide (PubChem CID 79081947) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-amino-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide
PubChem CID79081947
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name4-amino-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide
SMILESCN1CCOC(CNC(=O)C2CCC(N)CC2)C1
InChIInChI=1S/C13H25N3O2/c1-16-6-7-18-12(9-16)8-15-13(17)10-2-4-11(14)5-3-10/h10-12H,2-9,14H2,1H3,(H,15,17)
InChIKeySBAGPFMESXXJRD-UHFFFAOYSA-N
XLogP-0.05
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-methyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide
CID 79070990
2-amino-3-methyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide
CID 79071178
3-(2-aminoethyl)-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide
CID 79071088
N-[[(2S)-4-methylmorpholin-2-yl]methyl]acetamide
CID 170608678
N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 69087754
5-methyl-N-[(4-methylmorpholin-2-yl)methyl]piperidine-3-carboxamide
CID 79071217
4-amino-2,2,3-trimethyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide
CID 102629005
2-[(4-methylmorpholin-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 113361141
N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]cyclopropanecarboxamide
CID 95168375
methyl 2-[(4-methylmorpholin-2-yl)methylamino]-2-oxoacetate
CID 112617409
2-methyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]propanamide
CID 153398973
2,3-dimethyl-4-[(4-methylmorpholin-2-yl)methylamino]-4-oxobutanoic acid
CID 103498729

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide (CID 79081947) is 4-amino-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide is CN1CCOC(CNC(=O)C2CCC(N)CC2)C1.
What is the InChIKey of 4-amino-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide?
The InChIKey is SBAGPFMESXXJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-16-6-7-18-12(9-16)8-15-13(17)10-2-4-11(14)5-3-10/h10-12H,2-9,14H2,1H3,(H,15,17).
What are the key properties of 4-amino-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide?
4-amino-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide has a molecular weight of 255.36 g/mol, XLogP of -0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 79081947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).