3-amino-2,2-dimethyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide

C17H33N3O — CID 81485319

IUPAC3-amino-2,2-dimethyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide
SMILESCC(C)(CN)C(=O)NCC1(N2CCCCC2)CCCCC1
InChIInChI=1S/C17H33N3O/c1-16(2,13-18)15(21)19-14-17(9-5-3-6-10-17)20-11-7-4-8-12-20/h3-14,18H2,1-2H3,(H,19,21)
InChIKeyXMHYSAPIPJNKQL-UHFFFAOYSA-N
MW295.47 g/mol
LogP2.28
Rot. Bonds5

About 3-amino-2,2-dimethyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide

3-amino-2,2-dimethyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide (PubChem CID 81485319) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 3-amino-2,2-dimethyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide.

Molecular Properties

Compound Name3-amino-2,2-dimethyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide
PubChem CID81485319
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name3-amino-2,2-dimethyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide
SMILESCC(C)(CN)C(=O)NCC1(N2CCCCC2)CCCCC1
InChIInChI=1S/C17H33N3O/c1-16(2,13-18)15(21)19-14-17(9-5-3-6-10-17)20-11-7-4-8-12-20/h3-14,18H2,1-2H3,(H,19,21)
InChIKeyXMHYSAPIPJNKQL-UHFFFAOYSA-N
XLogP2.28
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2,2-dimethylpropanamide
CID 112701928
N-(1,2,3,4,6,7,8,9-octahydroquinolizin-9a-ylmethyl)acetamide
CID 121011981
tert-butyl N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)carbamate
CID 171397407
3-methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]but-2-enamide
CID 102603401
2-chloro-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide
CID 60716987
2-(4-methoxyanilino)-2-methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide
CID 131915440
2,2,2-trifluoro-N-[(1-piperazin-1-ylcycloheptyl)methyl]acetamide
CID 58561751
4-(methylamino)-N-[(1-piperidin-1-ylcyclohexyl)methyl]butanamide
CID 61249197
3,3-dimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]butanamide
CID 78789271
N-methyl-1-(1,2,3,5,6,7,8,9-octahydropyrrolo[1,2-a]azepin-9a-yl)methanamine
CID 121207930
4-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]piperidine-4-carboxamide
CID 119682329
N-[(1-piperidin-1-ylcyclohexyl)methyl]thiohydroxylamine
CID 163582901

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-dimethyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide?
The IUPAC name of 3-amino-2,2-dimethyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide (CID 81485319) is 3-amino-2,2-dimethyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide.
What is the SMILES notation for 3-amino-2,2-dimethyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide?
The canonical SMILES for 3-amino-2,2-dimethyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide is CC(C)(CN)C(=O)NCC1(N2CCCCC2)CCCCC1.
What is the InChIKey of 3-amino-2,2-dimethyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide?
The InChIKey is XMHYSAPIPJNKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-16(2,13-18)15(21)19-14-17(9-5-3-6-10-17)20-11-7-4-8-12-20/h3-14,18H2,1-2H3,(H,19,21).
What are the key properties of 3-amino-2,2-dimethyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide?
3-amino-2,2-dimethyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide has a molecular weight of 295.47 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2-dimethyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide is sourced from PubChem (CID 81485319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).