3-(3-aminocyclohexyl)-N-(2-methylpropyl)propanamide

C13H26N2O — CID 80700557

IUPAC3-(3-aminocyclohexyl)-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)CCC1CCCC(N)C1
InChIInChI=1S/C13H26N2O/c1-10(2)9-15-13(16)7-6-11-4-3-5-12(14)8-11/h10-12H,3-9,14H2,1-2H3,(H,15,16)
InChIKeyOITKLRSXDDBTKG-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.06
Rot. Bonds5

About 3-(3-aminocyclohexyl)-N-(2-methylpropyl)propanamide

3-(3-aminocyclohexyl)-N-(2-methylpropyl)propanamide (PubChem CID 80700557) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-(3-aminocyclohexyl)-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-(3-aminocyclohexyl)-N-(2-methylpropyl)propanamide
PubChem CID80700557
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-(3-aminocyclohexyl)-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)CCC1CCCC(N)C1
InChIInChI=1S/C13H26N2O/c1-10(2)9-15-13(16)7-6-11-4-3-5-12(14)8-11/h10-12H,3-9,14H2,1-2H3,(H,15,16)
InChIKeyOITKLRSXDDBTKG-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopentyl-N-(2-methylpropyl)propanamide
CID 918369
3-(3-aminocyclohexyl)-N-[2-[di(propan-2-yl)amino]ethyl]propanamide
CID 80693936
3-[(3-aminocyclohexyl)amino]-N-(2-methylpropyl)propanamide
CID 113409721
3-(3-aminocyclohexyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]propanamide
CID 80700385
3-(3-aminocyclohexyl)-N-[2-(carbamoylamino)ethyl]propanamide
CID 83118112
3-(3-aminocyclohexyl)-N-hexan-2-ylpropanamide
CID 80701095
3-(3-aminocyclohexyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide
CID 80700809
2-(3-aminocyclohexyl)-N-(2,3,3-trimethylbutyl)acetamide
CID 83146431
3-(3-aminocyclohexyl)-N-methyl-N-propan-2-ylpropanamide
CID 80701423
3-(3-aminocyclohexyl)-N-(3,4-dimethylcyclohexyl)propanamide
CID 80700308
3-(3-aminocyclohexyl)-N-(2-methylcycloheptyl)propanamide
CID 80701268
N-(2-amino-3-hydroxybutyl)-3-cyclohexylpropanamide
CID 64541698

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminocyclohexyl)-N-(2-methylpropyl)propanamide?
The IUPAC name of 3-(3-aminocyclohexyl)-N-(2-methylpropyl)propanamide (CID 80700557) is 3-(3-aminocyclohexyl)-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 3-(3-aminocyclohexyl)-N-(2-methylpropyl)propanamide?
The canonical SMILES for 3-(3-aminocyclohexyl)-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)CCC1CCCC(N)C1.
What is the InChIKey of 3-(3-aminocyclohexyl)-N-(2-methylpropyl)propanamide?
The InChIKey is OITKLRSXDDBTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-10(2)9-15-13(16)7-6-11-4-3-5-12(14)8-11/h10-12H,3-9,14H2,1-2H3,(H,15,16).
What are the key properties of 3-(3-aminocyclohexyl)-N-(2-methylpropyl)propanamide?
3-(3-aminocyclohexyl)-N-(2-methylpropyl)propanamide has a molecular weight of 226.36 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminocyclohexyl)-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 80700557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).