2-amino-5-methyl-N-(3-methylbutan-2-yl)cyclohexane-1-carboxamide

C13H26N2O — CID 65453766

IUPAC2-amino-5-methyl-N-(3-methylbutan-2-yl)cyclohexane-1-carboxamide
SMILESCC1CCC(N)C(C(=O)NC(C)C(C)C)C1
InChIInChI=1S/C13H26N2O/c1-8(2)10(4)15-13(16)11-7-9(3)5-6-12(11)14/h8-12H,5-7,14H2,1-4H3,(H,15,16)
InChIKeyROQXPAZGGYOSDS-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.91
Rot. Bonds3

About 2-amino-5-methyl-N-(3-methylbutan-2-yl)cyclohexane-1-carboxamide

2-amino-5-methyl-N-(3-methylbutan-2-yl)cyclohexane-1-carboxamide (PubChem CID 65453766) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-amino-5-methyl-N-(3-methylbutan-2-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-5-methyl-N-(3-methylbutan-2-yl)cyclohexane-1-carboxamide
PubChem CID65453766
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-amino-5-methyl-N-(3-methylbutan-2-yl)cyclohexane-1-carboxamide
SMILESCC1CCC(N)C(C(=O)NC(C)C(C)C)C1
InChIInChI=1S/C13H26N2O/c1-8(2)10(4)15-13(16)11-7-9(3)5-6-12(11)14/h8-12H,5-7,14H2,1-4H3,(H,15,16)
InChIKeyROQXPAZGGYOSDS-UHFFFAOYSA-N
XLogP1.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-5-methyl-N-propan-2-ylcyclohexane-1-carboxamide
CID 65455850
2-amino-5-methyl-N-pentan-3-ylcyclohexane-1-carboxamide
CID 65456041
2-amino-N-hexan-3-yl-5-methylcyclohexane-1-carboxamide
CID 65455479
2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-methylcyclohexane-1-carboxamide
CID 65456053
2-amino-5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide
CID 65456059
2-amino-5-methyl-N-[2-(3-methylbutoxy)ethyl]cyclohexane-1-carboxamide
CID 65454356
2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-5-methylcyclohexane-1-carboxamide
CID 83117542
methyl 2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]propanoate
CID 66779130
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-5-methylcyclohexane-1-carboxamide
CID 65454343
2-amino-N,N-dibutyl-5-methylcyclohexane-1-carboxamide
CID 65456425
2-amino-N-(3-ethylcyclohexyl)-5-methylcyclohexane-1-carboxamide
CID 65455115
2-ethyl-N-hexan-2-yl-5-methylcyclohexane-1-carboxamide
CID 166924939

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methyl-N-(3-methylbutan-2-yl)cyclohexane-1-carboxamide?
The IUPAC name of 2-amino-5-methyl-N-(3-methylbutan-2-yl)cyclohexane-1-carboxamide (CID 65453766) is 2-amino-5-methyl-N-(3-methylbutan-2-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-5-methyl-N-(3-methylbutan-2-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-5-methyl-N-(3-methylbutan-2-yl)cyclohexane-1-carboxamide is CC1CCC(N)C(C(=O)NC(C)C(C)C)C1.
What is the InChIKey of 2-amino-5-methyl-N-(3-methylbutan-2-yl)cyclohexane-1-carboxamide?
The InChIKey is ROQXPAZGGYOSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-8(2)10(4)15-13(16)11-7-9(3)5-6-12(11)14/h8-12H,5-7,14H2,1-4H3,(H,15,16).
What are the key properties of 2-amino-5-methyl-N-(3-methylbutan-2-yl)cyclohexane-1-carboxamide?
2-amino-5-methyl-N-(3-methylbutan-2-yl)cyclohexane-1-carboxamide has a molecular weight of 226.36 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methyl-N-(3-methylbutan-2-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 65453766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).