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

C14H27N3O2 — CID 79070990

IUPAC3-amino-4-methyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)NCC2CN(C)CCO2)CC1N
InChIInChI=1S/C14H27N3O2/c1-10-3-4-11(7-13(10)15)14(18)16-8-12-9-17(2)5-6-19-12/h10-13H,3-9,15H2,1-2H3,(H,16,18)
InChIKeyFFCRSCWJZZYLDQ-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.20
Rot. Bonds3

About 3-amino-4-methyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide

3-amino-4-methyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide (PubChem CID 79070990) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-amino-4-methyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-4-methyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide
PubChem CID79070990
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name3-amino-4-methyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)NCC2CN(C)CCO2)CC1N
InChIInChI=1S/C14H27N3O2/c1-10-3-4-11(7-13(10)15)14(18)16-8-12-9-17(2)5-6-19-12/h10-13H,3-9,15H2,1-2H3,(H,16,18)
InChIKeyFFCRSCWJZZYLDQ-UHFFFAOYSA-N
XLogP0.20
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide
CID 79081947
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
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
4-methyl-N-[(4-methylmorpholin-2-yl)methyl]pyrrolidine-3-carboxamide
CID 79083173
N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 69087754
N-[[(2S)-4-methylmorpholin-2-yl]methyl]acetamide
CID 170608678
3-amino-4-methyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide
CID 62993831
3-amino-4-methyl-N-(4-methylpiperazin-1-yl)cyclohexane-1-carboxamide
CID 83025000
2-methyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]propanamide
CID 153398973

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-4-methyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide (CID 79070990) is 3-amino-4-methyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-4-methyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-4-methyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide is CC1CCC(C(=O)NCC2CN(C)CCO2)CC1N.
What is the InChIKey of 3-amino-4-methyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide?
The InChIKey is FFCRSCWJZZYLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-10-3-4-11(7-13(10)15)14(18)16-8-12-9-17(2)5-6-19-12/h10-13H,3-9,15H2,1-2H3,(H,16,18).
What are the key properties of 3-amino-4-methyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide?
3-amino-4-methyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide has a molecular weight of 269.39 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 79070990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).