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

C14H27N3O2 — CID 79071178

IUPAC2-amino-3-methyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide
SMILESCC1CCCC(C(=O)NCC2CN(C)CCO2)C1N
InChIInChI=1S/C14H27N3O2/c1-10-4-3-5-12(13(10)15)14(18)16-8-11-9-17(2)6-7-19-11/h10-13H,3-9,15H2,1-2H3,(H,16,18)
InChIKeyIONMDVVXGWKXHY-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.20
Rot. Bonds3

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

2-amino-3-methyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide (PubChem CID 79071178) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide
PubChem CID79071178
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name2-amino-3-methyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide
SMILESCC1CCCC(C(=O)NCC2CN(C)CCO2)C1N
InChIInChI=1S/C14H27N3O2/c1-10-4-3-5-12(13(10)15)14(18)16-8-11-9-17(2)6-7-19-11/h10-13H,3-9,15H2,1-2H3,(H,16,18)
InChIKeyIONMDVVXGWKXHY-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

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
4-amino-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide
CID 79081947
3-amino-4-methyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide
CID 79070990
2-amino-3-methyl-N-[2-(oxolan-2-yl)ethyl]cyclohexane-1-carboxamide
CID 55117010
4-amino-2,2,3-trimethyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide
CID 102629005
3-(2-aminoethyl)-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide
CID 79071088
N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 69087754
N-[[(2S)-4-methylmorpholin-2-yl]methyl]acetamide
CID 170608678
4-methyl-1-[(4-methylmorpholin-2-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 79071056
cis-(1R,2S)-2-methyl-N-[[(2R)-4-methylmorpholin-2-yl]methyl]cyclopentan-1-amine
CID 97045045
trans-(1R,2R)-2-methyl-N-[[(2R)-4-methylmorpholin-2-yl]methyl]cyclopentan-1-amine
CID 97045044

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 2-amino-3-methyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide (CID 79071178) is 2-amino-3-methyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-3-methyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-3-methyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide is CC1CCCC(C(=O)NCC2CN(C)CCO2)C1N.
What is the InChIKey of 2-amino-3-methyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide?
The InChIKey is IONMDVVXGWKXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-10-4-3-5-12(13(10)15)14(18)16-8-11-9-17(2)6-7-19-11/h10-13H,3-9,15H2,1-2H3,(H,16,18).
What are the key properties of 2-amino-3-methyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide?
2-amino-3-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 2-amino-3-methyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 79071178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).