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

C16H31N3O2 — CID 102629005

IUPAC4-amino-2,2,3-trimethyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide
SMILESCC1C(N)CCC(C(=O)NCC2CN(C)CCO2)C1(C)C
InChIInChI=1S/C16H31N3O2/c1-11-14(17)6-5-13(16(11,2)3)15(20)18-9-12-10-19(4)7-8-21-12/h11-14H,5-10,17H2,1-4H3,(H,18,20)
InChIKeyVUWUYTWAZNUKIX-UHFFFAOYSA-N
MW297.44 g/mol
LogP0.83
Rot. Bonds3

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

4-amino-2,2,3-trimethyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide (PubChem CID 102629005) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 4-amino-2,2,3-trimethyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-2,2,3-trimethyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide
PubChem CID102629005
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name4-amino-2,2,3-trimethyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide
SMILESCC1C(N)CCC(C(=O)NCC2CN(C)CCO2)C1(C)C
InChIInChI=1S/C16H31N3O2/c1-11-14(17)6-5-13(16(11,2)3)15(20)18-9-12-10-19(4)7-8-21-12/h11-14H,5-10,17H2,1-4H3,(H,18,20)
InChIKeyVUWUYTWAZNUKIX-UHFFFAOYSA-N
XLogP0.83
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 50.83
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
3-amino-4-methyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide
CID 79070990
4-amino-2,2,3-trimethyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide
CID 102628487
2-amino-3-methyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide
CID 79071178
2-[(4-methylmorpholin-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 113361141
N-[[(2S)-4-methylmorpholin-2-yl]methyl]acetamide
CID 170608678
N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 69087754
4-methyl-N-[(4-methylmorpholin-2-yl)methyl]pyrrolidine-3-carboxamide
CID 79083173
N-[(4-methylmorpholin-2-yl)methyl]azepane-2-carboxamide
CID 79082476
1-amino-N-[(4-methylmorpholin-2-yl)methyl]cyclopentane-1-carboxamide
CID 79082482
5-methyl-N-[(4-methylmorpholin-2-yl)methyl]piperidine-3-carboxamide
CID 79071217
4-amino-N-[(4-methylmorpholin-2-yl)methyl]oxane-4-carboxamide
CID 115295108

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,2,3-trimethyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-2,2,3-trimethyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide (CID 102629005) is 4-amino-2,2,3-trimethyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-2,2,3-trimethyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-2,2,3-trimethyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide is CC1C(N)CCC(C(=O)NCC2CN(C)CCO2)C1(C)C.
What is the InChIKey of 4-amino-2,2,3-trimethyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide?
The InChIKey is VUWUYTWAZNUKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-11-14(17)6-5-13(16(11,2)3)15(20)18-9-12-10-19(4)7-8-21-12/h11-14H,5-10,17H2,1-4H3,(H,18,20).
What are the key properties of 4-amino-2,2,3-trimethyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide?
4-amino-2,2,3-trimethyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide has a molecular weight of 297.44 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,2,3-trimethyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 102629005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).