3-amino-N-(3,5-dimethyl-1-adamantyl)-2-methylpropanamide

C16H28N2O — CID 79998241

IUPAC3-amino-N-(3,5-dimethyl-1-adamantyl)-2-methylpropanamide
SMILESCC(CN)C(=O)NC12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C16H28N2O/c1-11(7-17)13(19)18-16-6-12-4-14(2,9-16)8-15(3,5-12)10-16/h11-12H,4-10,17H2,1-3H3,(H,18,19)
InChIKeyLDVQDIWPZVYTEJ-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.45
Rot. Bonds3

About 3-amino-N-(3,5-dimethyl-1-adamantyl)-2-methylpropanamide

3-amino-N-(3,5-dimethyl-1-adamantyl)-2-methylpropanamide (PubChem CID 79998241) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 3-amino-N-(3,5-dimethyl-1-adamantyl)-2-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-(3,5-dimethyl-1-adamantyl)-2-methylpropanamide
PubChem CID79998241
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name3-amino-N-(3,5-dimethyl-1-adamantyl)-2-methylpropanamide
SMILESCC(CN)C(=O)NC12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C16H28N2O/c1-11(7-17)13(19)18-16-6-12-4-14(2,9-16)8-15(3,5-12)10-16/h11-12H,4-10,17H2,1-3H3,(H,18,19)
InChIKeyLDVQDIWPZVYTEJ-UHFFFAOYSA-N
XLogP2.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-(3,5-dimethyl-1-adamantyl)-2-methylpropanamide
CID 79997650
2-chloro-N-(3,5-dimethyl-1-adamantyl)propanamide
CID 79999964
3-amino-N-(3,5-dimethyl-1-adamantyl)-3-hydroxyimino-2-methylpropanamide
CID 79988898
N-(3,5-dimethyl-1-adamantyl)-2-iodoacetamide
CID 4606569
N-[(1S,3S)-3-acetamido-5-methyl-1-adamantyl]acetamide
CID 98105097
2-acetamido-N,2-bis(3,5-dimethyl-1-adamantyl)acetamide
CID 130442767
2-cyano-N-(3,5-dimethyl-1-adamantyl)acetamide
CID 79997839
4-chloro-N-[(3R,5S)-3,5-dimethyl-1-adamantyl]butanamide
CID 71514006
3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-N-(3,5-dimethyl-1-adamantyl)propanamide
CID 172598055
1-[(3,5-dimethyl-1-adamantyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 79987587
N-(3,5-dimethyl-1-adamantyl)adamantane-1-carboxamide
CID 171577279
N-(1-adamantyl)-4-amino-2-methylbutanamide
CID 80541317

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,5-dimethyl-1-adamantyl)-2-methylpropanamide?
The IUPAC name of 3-amino-N-(3,5-dimethyl-1-adamantyl)-2-methylpropanamide (CID 79998241) is 3-amino-N-(3,5-dimethyl-1-adamantyl)-2-methylpropanamide.
What is the SMILES notation for 3-amino-N-(3,5-dimethyl-1-adamantyl)-2-methylpropanamide?
The canonical SMILES for 3-amino-N-(3,5-dimethyl-1-adamantyl)-2-methylpropanamide is CC(CN)C(=O)NC12CC3CC(C)(CC(C)(C3)C1)C2.
What is the InChIKey of 3-amino-N-(3,5-dimethyl-1-adamantyl)-2-methylpropanamide?
The InChIKey is LDVQDIWPZVYTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-11(7-17)13(19)18-16-6-12-4-14(2,9-16)8-15(3,5-12)10-16/h11-12H,4-10,17H2,1-3H3,(H,18,19).
What are the key properties of 3-amino-N-(3,5-dimethyl-1-adamantyl)-2-methylpropanamide?
3-amino-N-(3,5-dimethyl-1-adamantyl)-2-methylpropanamide has a molecular weight of 264.41 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,5-dimethyl-1-adamantyl)-2-methylpropanamide is sourced from PubChem (CID 79998241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).