4-amino-3-methyl-N-[(4-methylcyclohexyl)methyl]butanamide

C13H26N2O — CID 81079716

IUPAC4-amino-3-methyl-N-[(4-methylcyclohexyl)methyl]butanamide
SMILESCC1CCC(CNC(=O)CC(C)CN)CC1
InChIInChI=1S/C13H26N2O/c1-10-3-5-12(6-4-10)9-15-13(16)7-11(2)8-14/h10-12H,3-9,14H2,1-2H3,(H,15,16)
InChIKeyZUGNTFUIUXIIHR-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.91
Rot. Bonds5

About 4-amino-3-methyl-N-[(4-methylcyclohexyl)methyl]butanamide

4-amino-3-methyl-N-[(4-methylcyclohexyl)methyl]butanamide (PubChem CID 81079716) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 4-amino-3-methyl-N-[(4-methylcyclohexyl)methyl]butanamide.

Molecular Properties

Compound Name4-amino-3-methyl-N-[(4-methylcyclohexyl)methyl]butanamide
PubChem CID81079716
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name4-amino-3-methyl-N-[(4-methylcyclohexyl)methyl]butanamide
SMILESCC1CCC(CNC(=O)CC(C)CN)CC1
InChIInChI=1S/C13H26N2O/c1-10-3-5-12(6-4-10)9-15-13(16)7-11(2)8-14/h10-12H,3-9,14H2,1-2H3,(H,15,16)
InChIKeyZUGNTFUIUXIIHR-UHFFFAOYSA-N
XLogP1.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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

4-amino-3-methyl-N-(thiolan-3-ylmethyl)butanamide
CID 107296156
4-amino-3-methyl-N-(oxolan-3-ylmethyl)butanamide
CID 81075819
4-amino-N-[3-(cyclopropylmethoxy)propyl]-3-methylbutanamide
CID 81070667
4-amino-N-[[2-(hydroxymethyl)cyclopentyl]methyl]-3-methylbutanamide
CID 81080200
2-(3-amino-2-methylpropyl)sulfinyl-N-(cyclopropylmethyl)acetamide
CID 81200813
1-[[(4-amino-3-methylbutanoyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115442615
3-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]-5-methylhexanamide
CID 106135609
N-[(4-chlorocyclohexyl)methyl]-3-methylbutanamide
CID 106133604
4-[[[(3S)-3-(aminomethyl)-5-methylhexanoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 79525645
N-[(4-aminocyclohexyl)methyl]-3,4,4-trimethylpentanamide
CID 106124369
2-(1-aminopropan-2-ylsulfinyl)-N-(cyclopropylmethyl)acetamide
CID 81187710
3-[(4-methylcyclohexyl)methylcarbamoylamino]butanoic acid
CID 63244224

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-N-[(4-methylcyclohexyl)methyl]butanamide?
The IUPAC name of 4-amino-3-methyl-N-[(4-methylcyclohexyl)methyl]butanamide (CID 81079716) is 4-amino-3-methyl-N-[(4-methylcyclohexyl)methyl]butanamide.
What is the SMILES notation for 4-amino-3-methyl-N-[(4-methylcyclohexyl)methyl]butanamide?
The canonical SMILES for 4-amino-3-methyl-N-[(4-methylcyclohexyl)methyl]butanamide is CC1CCC(CNC(=O)CC(C)CN)CC1.
What is the InChIKey of 4-amino-3-methyl-N-[(4-methylcyclohexyl)methyl]butanamide?
The InChIKey is ZUGNTFUIUXIIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-10-3-5-12(6-4-10)9-15-13(16)7-11(2)8-14/h10-12H,3-9,14H2,1-2H3,(H,15,16).
What are the key properties of 4-amino-3-methyl-N-[(4-methylcyclohexyl)methyl]butanamide?
4-amino-3-methyl-N-[(4-methylcyclohexyl)methyl]butanamide has a molecular weight of 226.36 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-N-[(4-methylcyclohexyl)methyl]butanamide is sourced from PubChem (CID 81079716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).