N-(1-adamantyl)-4-amino-2-methylbutanamide

C15H26N2O — CID 80541317

IUPACN-(1-adamantyl)-4-amino-2-methylbutanamide
SMILESCC(CCN)C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H26N2O/c1-10(2-3-16)14(18)17-15-7-11-4-12(8-15)6-13(5-11)9-15/h10-13H,2-9,16H2,1H3,(H,17,18)
InChIKeyZQMWXIZGCLMZOW-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.06
Rot. Bonds4

About N-(1-adamantyl)-4-amino-2-methylbutanamide

N-(1-adamantyl)-4-amino-2-methylbutanamide (PubChem CID 80541317) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-(1-adamantyl)-4-amino-2-methylbutanamide.

Molecular Properties

Compound NameN-(1-adamantyl)-4-amino-2-methylbutanamide
PubChem CID80541317
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-(1-adamantyl)-4-amino-2-methylbutanamide
SMILESCC(CCN)C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H26N2O/c1-10(2-3-16)14(18)17-15-7-11-4-12(8-15)6-13(5-11)9-15/h10-13H,2-9,16H2,1H3,(H,17,18)
InChIKeyZQMWXIZGCLMZOW-UHFFFAOYSA-N
XLogP2.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(1-adamantyl)-2-aminopropanamide;hydrochloride
CID 119261551
N-(1-adamantyl)-3-amino-2-methylbutanamide
CID 113416044
4-(1-adamantylamino)-2,3-dimethyl-4-oxobutanoic acid
CID 22090292
N-(1-adamantyl)-2-[(2-amino-2-oxoethyl)-methylamino]propanamide
CID 75361457
(2S)-N-(1-adamantyl)-2-[formyl(methyl)amino]-3-methylbutanamide
CID 134831249
1-(1-adamantyl)-3-(3-amino-2-methylpropyl)urea
CID 62666112
3-amino-N-(3,5-dimethyl-1-adamantyl)-2-methylpropanamide
CID 79998241
1-(1-adamantyl)-3-(2-aminopropyl)urea
CID 63731476
N-(1-adamantyl)-1-(aminomethyl)-3-methylcyclobutane-1-carboxamide
CID 80587740
(2S)-5-(1-adamantylamino)-2-amino-5-oxopentanoic acid
CID 122459701
4-O-[(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl] 1-O-ethyl (E)-but-2-enedioate
CID 7851689
[(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 3,3-dimethylbutanoate
CID 7950815

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-4-amino-2-methylbutanamide?
The IUPAC name of N-(1-adamantyl)-4-amino-2-methylbutanamide (CID 80541317) is N-(1-adamantyl)-4-amino-2-methylbutanamide.
What is the SMILES notation for N-(1-adamantyl)-4-amino-2-methylbutanamide?
The canonical SMILES for N-(1-adamantyl)-4-amino-2-methylbutanamide is CC(CCN)C(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-4-amino-2-methylbutanamide?
The InChIKey is ZQMWXIZGCLMZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-10(2-3-16)14(18)17-15-7-11-4-12(8-15)6-13(5-11)9-15/h10-13H,2-9,16H2,1H3,(H,17,18).
What are the key properties of N-(1-adamantyl)-4-amino-2-methylbutanamide?
N-(1-adamantyl)-4-amino-2-methylbutanamide has a molecular weight of 250.39 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-4-amino-2-methylbutanamide is sourced from PubChem (CID 80541317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).