5-amino-2,4-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)cyclohexane-1-carboxamide

C16H31N3O2 — CID 102706702

IUPAC5-amino-2,4-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)cyclohexane-1-carboxamide
SMILESCC(CN1CCOCC1)NC(=O)C1CC(N)C(C)CC1C
InChIInChI=1S/C16H31N3O2/c1-11-8-12(2)15(17)9-14(11)16(20)18-13(3)10-19-4-6-21-7-5-19/h11-15H,4-10,17H2,1-3H3,(H,18,20)
InChIKeyHLGXCZLMDZLWFL-UHFFFAOYSA-N
MW297.44 g/mol
LogP0.83
Rot. Bonds4

About 5-amino-2,4-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)cyclohexane-1-carboxamide

5-amino-2,4-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)cyclohexane-1-carboxamide (PubChem CID 102706702) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 5-amino-2,4-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name5-amino-2,4-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)cyclohexane-1-carboxamide
PubChem CID102706702
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name5-amino-2,4-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)cyclohexane-1-carboxamide
SMILESCC(CN1CCOCC1)NC(=O)C1CC(N)C(C)CC1C
InChIInChI=1S/C16H31N3O2/c1-11-8-12(2)15(17)9-14(11)16(20)18-13(3)10-19-4-6-21-7-5-19/h11-15H,4-10,17H2,1-3H3,(H,18,20)
InChIKeyHLGXCZLMDZLWFL-UHFFFAOYSA-N
XLogP0.83
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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

5-amino-2,4-dimethyl-N-octan-2-ylcyclohexane-1-carboxamide
CID 102706657
(2R)-2-amino-N-(1-morpholin-4-ylpropan-2-yl)propanamide
CID 78972664
4-methyl-N-(1-morpholin-4-ylpropan-2-yl)piperidine-2-carboxamide
CID 114422948
5-amino-2,4-dimethyl-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide
CID 102706892
5-amino-N-(3,3-dimethylbutan-2-yl)-2,4-dimethylcyclohexane-1-carboxamide
CID 102706911
3-amino-2-methyl-N-(1-piperidin-1-ylpropan-2-yl)cyclohexane-1-carboxamide
CID 62783102
(2R)-2-amino-3-methyl-N-(1-morpholin-4-ylpropan-2-yl)butanamide
CID 79011788
tert-butyl N-[(2S)-1-morpholin-4-ylpropan-2-yl]carbamate
CID 58441909
3-amino-N-(1-morpholin-4-ylpropan-2-yl)propanamide;dihydrochloride
CID 119851619
5-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-2,4-dimethylcyclohexane-1-carboxamide
CID 102706894
4-methoxy-N-(1-morpholin-4-ylpropan-2-yl)pyrrolidine-2-carboxamide
CID 61215056
(2S)-2-amino-N-(1-morpholin-4-ylpropan-2-yl)pentanamide
CID 107568380

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,4-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)cyclohexane-1-carboxamide?
The IUPAC name of 5-amino-2,4-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)cyclohexane-1-carboxamide (CID 102706702) is 5-amino-2,4-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 5-amino-2,4-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 5-amino-2,4-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)cyclohexane-1-carboxamide is CC(CN1CCOCC1)NC(=O)C1CC(N)C(C)CC1C.
What is the InChIKey of 5-amino-2,4-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)cyclohexane-1-carboxamide?
The InChIKey is HLGXCZLMDZLWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-11-8-12(2)15(17)9-14(11)16(20)18-13(3)10-19-4-6-21-7-5-19/h11-15H,4-10,17H2,1-3H3,(H,18,20).
What are the key properties of 5-amino-2,4-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)cyclohexane-1-carboxamide?
5-amino-2,4-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)cyclohexane-1-carboxamide has a molecular weight of 297.44 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,4-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 102706702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).