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

C14H28N2O — CID 62782261

IUPAC5-amino-2-methyl-N-(3-methylpentan-2-yl)cyclohexane-1-carboxamide
SMILESCCC(C)C(C)NC(=O)C1CC(N)CCC1C
InChIInChI=1S/C14H28N2O/c1-5-9(2)11(4)16-14(17)13-8-12(15)7-6-10(13)3/h9-13H,5-8,15H2,1-4H3,(H,16,17)
InChIKeyBRJJSDNTWBPDEY-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.30
Rot. Bonds4

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

5-amino-2-methyl-N-(3-methylpentan-2-yl)cyclohexane-1-carboxamide (PubChem CID 62782261) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 5-amino-2-methyl-N-(3-methylpentan-2-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name5-amino-2-methyl-N-(3-methylpentan-2-yl)cyclohexane-1-carboxamide
PubChem CID62782261
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name5-amino-2-methyl-N-(3-methylpentan-2-yl)cyclohexane-1-carboxamide
SMILESCCC(C)C(C)NC(=O)C1CC(N)CCC1C
InChIInChI=1S/C14H28N2O/c1-5-9(2)11(4)16-14(17)13-8-12(15)7-6-10(13)3/h9-13H,5-8,15H2,1-4H3,(H,16,17)
InChIKeyBRJJSDNTWBPDEY-UHFFFAOYSA-N
XLogP2.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-N-(1-ethoxypropan-2-yl)-2-methylcyclohexane-1-carboxamide
CID 62782760
5-amino-N-(4-methoxybutan-2-yl)-2-methylcyclohexane-1-carboxamide
CID 64603308
2-(3-methylpentan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 61463679
5-amino-N-[4-(dimethylamino)butan-2-yl]-2-methylcyclohexane-1-carboxamide
CID 62782765
2-(3-methylpentan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103978580
methyl (2S,3S)-3-methyl-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]pentanoate
CID 124824414
methyl (1S,2R,5S)-5-amino-2-methylcyclohexane-1-carboxylate
CID 155905120
2-amino-N-(3-ethylpentan-2-yl)-3-methylcyclohexane-1-carboxamide
CID 63841135
3-(4-aminocyclohexyl)-N-(3-methylpentan-2-yl)propanamide
CID 55117162
5-amino-N-cycloheptyl-2-methylcyclohexane-1-carboxamide
CID 62783163
(2S,3S)-2-[(3-aminocyclopentanecarbonyl)amino]-3-methylpentanoic acid
CID 66010236
5-amino-N-[3-(dimethylamino)propyl]-2-methylcyclohexane-1-carboxamide
CID 62781307

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-(3-methylpentan-2-yl)cyclohexane-1-carboxamide?
The IUPAC name of 5-amino-2-methyl-N-(3-methylpentan-2-yl)cyclohexane-1-carboxamide (CID 62782261) is 5-amino-2-methyl-N-(3-methylpentan-2-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 5-amino-2-methyl-N-(3-methylpentan-2-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 5-amino-2-methyl-N-(3-methylpentan-2-yl)cyclohexane-1-carboxamide is CCC(C)C(C)NC(=O)C1CC(N)CCC1C.
What is the InChIKey of 5-amino-2-methyl-N-(3-methylpentan-2-yl)cyclohexane-1-carboxamide?
The InChIKey is BRJJSDNTWBPDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-5-9(2)11(4)16-14(17)13-8-12(15)7-6-10(13)3/h9-13H,5-8,15H2,1-4H3,(H,16,17).
What are the key properties of 5-amino-2-methyl-N-(3-methylpentan-2-yl)cyclohexane-1-carboxamide?
5-amino-2-methyl-N-(3-methylpentan-2-yl)cyclohexane-1-carboxamide has a molecular weight of 240.39 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-N-(3-methylpentan-2-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 62782261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).