5-amino-N-(3-methoxy-2-methylpropyl)-2,4-dimethylcyclohexane-1-carboxamide

C14H28N2O2 — CID 102706675

IUPAC5-amino-N-(3-methoxy-2-methylpropyl)-2,4-dimethylcyclohexane-1-carboxamide
SMILESCOCC(C)CNC(=O)C1CC(N)C(C)CC1C
InChIInChI=1S/C14H28N2O2/c1-9(8-18-4)7-16-14(17)12-6-13(15)11(3)5-10(12)2/h9-13H,5-8,15H2,1-4H3,(H,16,17)
InChIKeyIDMYNGPTDAIBPD-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.39
Rot. Bonds5

About 5-amino-N-(3-methoxy-2-methylpropyl)-2,4-dimethylcyclohexane-1-carboxamide

5-amino-N-(3-methoxy-2-methylpropyl)-2,4-dimethylcyclohexane-1-carboxamide (PubChem CID 102706675) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 5-amino-N-(3-methoxy-2-methylpropyl)-2,4-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name5-amino-N-(3-methoxy-2-methylpropyl)-2,4-dimethylcyclohexane-1-carboxamide
PubChem CID102706675
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name5-amino-N-(3-methoxy-2-methylpropyl)-2,4-dimethylcyclohexane-1-carboxamide
SMILESCOCC(C)CNC(=O)C1CC(N)C(C)CC1C
InChIInChI=1S/C14H28N2O2/c1-9(8-18-4)7-16-14(17)12-6-13(15)11(3)5-10(12)2/h9-13H,5-8,15H2,1-4H3,(H,16,17)
InChIKeyIDMYNGPTDAIBPD-UHFFFAOYSA-N
XLogP1.39
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(3-methoxy-2-methylpropyl)cyclopropane-1-carboxamide
CID 114995893
5-amino-N-(2,3-dimethylbutyl)-2,4-dimethylcyclohexane-1-carboxamide
CID 102706782
5-amino-2,4-dimethyl-N-[3-[methyl(propan-2-yl)amino]propyl]cyclohexane-1-carboxamide
CID 106052842
5-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-2,4-dimethylcyclohexane-1-carboxamide
CID 106241357
5-amino-2,4-dimethyl-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide
CID 102706892
5-amino-N-[2-(dimethylamino)ethyl]-2,4-dimethylcyclohexane-1-carboxamide
CID 102706457
5-amino-N-(2-cyclohexyloxyethyl)-2,4-dimethylcyclohexane-1-carboxamide
CID 102706761
5-amino-N-(3,3-dimethylbutan-2-yl)-2,4-dimethylcyclohexane-1-carboxamide
CID 102706911
5-amino-N-[(1-ethylpiperidin-4-yl)methyl]-2,4-dimethylcyclohexane-1-carboxamide
CID 102706681
5-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2,4-dimethylcyclohexane-1-carboxamide
CID 106280309
N-[(2R)-2-hydroxypropyl]-2-methylcyclopropane-1-carboxamide
CID 83032173
methyl N-(3-methoxy-2-methylpropyl)carbamate
CID 115593989

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-methoxy-2-methylpropyl)-2,4-dimethylcyclohexane-1-carboxamide?
The IUPAC name of 5-amino-N-(3-methoxy-2-methylpropyl)-2,4-dimethylcyclohexane-1-carboxamide (CID 102706675) is 5-amino-N-(3-methoxy-2-methylpropyl)-2,4-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for 5-amino-N-(3-methoxy-2-methylpropyl)-2,4-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for 5-amino-N-(3-methoxy-2-methylpropyl)-2,4-dimethylcyclohexane-1-carboxamide is COCC(C)CNC(=O)C1CC(N)C(C)CC1C.
What is the InChIKey of 5-amino-N-(3-methoxy-2-methylpropyl)-2,4-dimethylcyclohexane-1-carboxamide?
The InChIKey is IDMYNGPTDAIBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-9(8-18-4)7-16-14(17)12-6-13(15)11(3)5-10(12)2/h9-13H,5-8,15H2,1-4H3,(H,16,17).
What are the key properties of 5-amino-N-(3-methoxy-2-methylpropyl)-2,4-dimethylcyclohexane-1-carboxamide?
5-amino-N-(3-methoxy-2-methylpropyl)-2,4-dimethylcyclohexane-1-carboxamide has a molecular weight of 256.39 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-methoxy-2-methylpropyl)-2,4-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 102706675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).