3-amino-4-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide

C13H26N2O — CID 62781322

IUPAC3-amino-4-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide
SMILESCC(C)CCNC(=O)C1CCC(C)C(N)C1
InChIInChI=1S/C13H26N2O/c1-9(2)6-7-15-13(16)11-5-4-10(3)12(14)8-11/h9-12H,4-8,14H2,1-3H3,(H,15,16)
InChIKeyPKOSFEMAIRGXAH-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.91
Rot. Bonds4

About 3-amino-4-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide

3-amino-4-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide (PubChem CID 62781322) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-amino-4-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-4-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide
PubChem CID62781322
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-amino-4-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide
SMILESCC(C)CCNC(=O)C1CCC(C)C(N)C1
InChIInChI=1S/C13H26N2O/c1-9(2)6-7-15-13(16)11-5-4-10(3)12(14)8-11/h9-12H,4-8,14H2,1-3H3,(H,15,16)
InChIKeyPKOSFEMAIRGXAH-UHFFFAOYSA-N
XLogP1.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

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CID 107818268
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CID 102915394
3-amino-N-(2-cyclohexyloxyethyl)-4-methylcyclohexane-1-carboxamide
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CID 103550480
3-amino-4-methyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide
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3-amino-4-methyl-N-(5,5,5-trifluoropentyl)cyclohexane-1-carboxamide
CID 115522320
4-N-(3-methylbutyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144333
3-amino-N-[1-(diethylamino)propan-2-yl]-4-methylcyclohexane-1-carboxamide
CID 62781601
4-amino-3-methyl-N-(2-propan-2-yloxyethyl)cyclohexane-1-carboxamide
CID 104766026
N-(3-methylbutyl)oxane-4-carboxamide
CID 51110017
(4R)-3-amino-N'-iodo-4-methylcyclohexane-1-carbohydrazide
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CID 106028328

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-4-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide (CID 62781322) is 3-amino-4-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-4-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-4-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide is CC(C)CCNC(=O)C1CCC(C)C(N)C1.
What is the InChIKey of 3-amino-4-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide?
The InChIKey is PKOSFEMAIRGXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-9(2)6-7-15-13(16)11-5-4-10(3)12(14)8-11/h9-12H,4-8,14H2,1-3H3,(H,15,16).
What are the key properties of 3-amino-4-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide?
3-amino-4-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide has a molecular weight of 226.36 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 62781322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).