1-amino-3-methyl-N-[3-(2-methylpropoxy)propyl]cyclohexane-1-carboxamide

C15H30N2O2 — CID 64550257

IUPAC1-amino-3-methyl-N-[3-(2-methylpropoxy)propyl]cyclohexane-1-carboxamide
SMILESCC(C)COCCCNC(=O)C1(N)CCCC(C)C1
InChIInChI=1S/C15H30N2O2/c1-12(2)11-19-9-5-8-17-14(18)15(16)7-4-6-13(3)10-15/h12-13H,4-11,16H2,1-3H3,(H,17,18)
InChIKeyUZVKTWMXXGROSP-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.07
Rot. Bonds7

About 1-amino-3-methyl-N-[3-(2-methylpropoxy)propyl]cyclohexane-1-carboxamide

1-amino-3-methyl-N-[3-(2-methylpropoxy)propyl]cyclohexane-1-carboxamide (PubChem CID 64550257) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-amino-3-methyl-N-[3-(2-methylpropoxy)propyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-methyl-N-[3-(2-methylpropoxy)propyl]cyclohexane-1-carboxamide
PubChem CID64550257
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name1-amino-3-methyl-N-[3-(2-methylpropoxy)propyl]cyclohexane-1-carboxamide
SMILESCC(C)COCCCNC(=O)C1(N)CCCC(C)C1
InChIInChI=1S/C15H30N2O2/c1-12(2)11-19-9-5-8-17-14(18)15(16)7-4-6-13(3)10-15/h12-13H,4-11,16H2,1-3H3,(H,17,18)
InChIKeyUZVKTWMXXGROSP-UHFFFAOYSA-N
XLogP2.07
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-amino-3-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]cyclohexane-1-carboxamide
CID 64552753
5-[(1-amino-3-methylcyclohexanecarbonyl)amino]-2-methylpentanoic acid
CID 112547772
4-[(1-amino-3-methylcyclohexanecarbonyl)amino]butanoic acid
CID 64555264
1-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-methylcyclohexane-1-carboxamide
CID 114162134
1-amino-N-(3-cyclopentylpropyl)-3-methylcyclohexane-1-carboxamide
CID 103809043
1-amino-3-methyl-N-(3-methylsulfanylbutyl)cyclohexane-1-carboxamide
CID 115739018
1-amino-N-ethyl-3-methylcyclohexane-1-carboxamide
CID 64549188
1-amino-N-[2-(cyclopropanecarbonylamino)ethyl]-3-methylcyclohexane-1-carboxamide
CID 115738026
1-amino-N-(cyclobutylmethyl)-3-methylcyclohexane-1-carboxamide
CID 64550637
1-amino-N-(3-hydroxy-2-methylpropyl)-3-methylcyclohexane-1-carboxamide
CID 65035910
4-methylpentyl 1-amino-3-methylcyclohexane-1-carboxylate
CID 61294487
1-amino-N-hydroxy-3-methylcyclohexane-1-carboxamide
CID 64555298

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-methyl-N-[3-(2-methylpropoxy)propyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-3-methyl-N-[3-(2-methylpropoxy)propyl]cyclohexane-1-carboxamide (CID 64550257) is 1-amino-3-methyl-N-[3-(2-methylpropoxy)propyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-3-methyl-N-[3-(2-methylpropoxy)propyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-3-methyl-N-[3-(2-methylpropoxy)propyl]cyclohexane-1-carboxamide is CC(C)COCCCNC(=O)C1(N)CCCC(C)C1.
What is the InChIKey of 1-amino-3-methyl-N-[3-(2-methylpropoxy)propyl]cyclohexane-1-carboxamide?
The InChIKey is UZVKTWMXXGROSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-12(2)11-19-9-5-8-17-14(18)15(16)7-4-6-13(3)10-15/h12-13H,4-11,16H2,1-3H3,(H,17,18).
What are the key properties of 1-amino-3-methyl-N-[3-(2-methylpropoxy)propyl]cyclohexane-1-carboxamide?
1-amino-3-methyl-N-[3-(2-methylpropoxy)propyl]cyclohexane-1-carboxamide has a molecular weight of 270.42 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-methyl-N-[3-(2-methylpropoxy)propyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 64550257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).