1-amino-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-3-methylcyclohexane-1-carboxamide

C16H31N3O2 — CID 64551440

IUPAC1-amino-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-3-methylcyclohexane-1-carboxamide
SMILESCC(C)CC(NC(=O)C1(N)CCCC(C)C1)C(=O)N(C)C
InChIInChI=1S/C16H31N3O2/c1-11(2)9-13(14(20)19(4)5)18-15(21)16(17)8-6-7-12(3)10-16/h11-13H,6-10,17H2,1-5H3,(H,18,21)
InChIKeyMAMMZDOFSLQTIG-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.51
Rot. Bonds5

About 1-amino-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-3-methylcyclohexane-1-carboxamide

1-amino-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-3-methylcyclohexane-1-carboxamide (PubChem CID 64551440) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 1-amino-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-3-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-3-methylcyclohexane-1-carboxamide
PubChem CID64551440
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name1-amino-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-3-methylcyclohexane-1-carboxamide
SMILESCC(C)CC(NC(=O)C1(N)CCCC(C)C1)C(=O)N(C)C
InChIInChI=1S/C16H31N3O2/c1-11(2)9-13(14(20)19(4)5)18-15(21)16(17)8-6-7-12(3)10-16/h11-13H,6-10,17H2,1-5H3,(H,18,21)
InChIKeyMAMMZDOFSLQTIG-UHFFFAOYSA-N
XLogP1.51
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[1-(diethylamino)propan-2-yl]-3-methylcyclohexane-1-carboxamide
CID 64552964
1-amino-N-ethyl-3-methylcyclohexane-1-carboxamide
CID 64549188
1-amino-3-methyl-N-(4-methylsulfanylbutan-2-yl)cyclohexane-1-carboxamide
CID 115740076
1-amino-N-hydroxy-3-methylcyclohexane-1-carboxamide
CID 64555298
1-amino-N-(3-hydroxy-2-methylpropyl)-3-methylcyclohexane-1-carboxamide
CID 65035910
2-[(1-aminocyclopentanecarbonyl)amino]-4-methylpentanoic acid
CID 61157147
1-amino-3-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]cyclohexane-1-carboxamide
CID 64552753
2-[[2-(1-aminocyclohexyl)acetyl]amino]-N,N,4-trimethylpentanamide
CID 64685004
5-[(1-amino-3-methylcyclohexanecarbonyl)amino]-2-methylpentanoic acid
CID 112547772
1-amino-3-methyl-N-(1-thiophen-3-ylpropan-2-yl)cyclohexane-1-carboxamide
CID 64553804
1-amino-3-methyl-N-octan-4-ylcyclohexane-1-carboxamide
CID 106026003
1-amino-3-methyl-N-[3-(2-methylpropoxy)propyl]cyclohexane-1-carboxamide
CID 64550257

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-3-methylcyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-3-methylcyclohexane-1-carboxamide (CID 64551440) is 1-amino-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-3-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-3-methylcyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-3-methylcyclohexane-1-carboxamide is CC(C)CC(NC(=O)C1(N)CCCC(C)C1)C(=O)N(C)C.
What is the InChIKey of 1-amino-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-3-methylcyclohexane-1-carboxamide?
The InChIKey is MAMMZDOFSLQTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-11(2)9-13(14(20)19(4)5)18-15(21)16(17)8-6-7-12(3)10-16/h11-13H,6-10,17H2,1-5H3,(H,18,21).
What are the key properties of 1-amino-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-3-methylcyclohexane-1-carboxamide?
1-amino-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-3-methylcyclohexane-1-carboxamide has a molecular weight of 297.44 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-3-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 64551440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).