N-(2-adamantyl)-2-amino-N-methylhexanamide

C17H30N2O — CID 60946117

IUPACN-(2-adamantyl)-2-amino-N-methylhexanamide
SMILESCCCCC(N)C(=O)N(C)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H30N2O/c1-3-4-5-15(18)17(20)19(2)16-13-7-11-6-12(9-13)10-14(16)8-11/h11-16H,3-10,18H2,1-2H3
InChIKeyJRKSHSGCNPTARE-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.79
Rot. Bonds5

About N-(2-adamantyl)-2-amino-N-methylhexanamide

N-(2-adamantyl)-2-amino-N-methylhexanamide (PubChem CID 60946117) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-(2-adamantyl)-2-amino-N-methylhexanamide.

Molecular Properties

Compound NameN-(2-adamantyl)-2-amino-N-methylhexanamide
PubChem CID60946117
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-(2-adamantyl)-2-amino-N-methylhexanamide
SMILESCCCCC(N)C(=O)N(C)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H30N2O/c1-3-4-5-15(18)17(20)19(2)16-13-7-11-6-12(9-13)10-14(16)8-11/h11-16H,3-10,18H2,1-2H3
InChIKeyJRKSHSGCNPTARE-UHFFFAOYSA-N
XLogP2.79
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-cyclopentyl-N-methylhexanamide
CID 103831134
N-(2-adamantyl)-2-bromo-N-methylbutanamide
CID 55126314
N-(2-adamantyl)-3-amino-N,2-dimethylpropanamide
CID 62670869
(2R)-2-amino-N,N-dimethylhexanamide
CID 87696829
2-amino-N-methyl-N-(3-methylcyclohexyl)hexanamide
CID 54949183
(2S)-2-amino-N-butyl-N-methylhexanamide
CID 103830866
(2S)-2-amino-N,N-bis(cyclopropylmethyl)hexanamide
CID 113304824
(2S)-2-amino-N-cyclopropyl-N-propylhexanamide
CID 103950188
(2R)-2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylpentanamide
CID 107569736
(2R)-2-amino-N-cyclobutyl-N-methylpentanamide
CID 103797073
2-amino-N-(1-hydroxypropan-2-yl)-N-methylhexanamide
CID 104551721
(2S)-2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methylhexanamide
CID 103831373

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-2-amino-N-methylhexanamide?
The IUPAC name of N-(2-adamantyl)-2-amino-N-methylhexanamide (CID 60946117) is N-(2-adamantyl)-2-amino-N-methylhexanamide.
What is the SMILES notation for N-(2-adamantyl)-2-amino-N-methylhexanamide?
The canonical SMILES for N-(2-adamantyl)-2-amino-N-methylhexanamide is CCCCC(N)C(=O)N(C)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantyl)-2-amino-N-methylhexanamide?
The InChIKey is JRKSHSGCNPTARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-3-4-5-15(18)17(20)19(2)16-13-7-11-6-12(9-13)10-14(16)8-11/h11-16H,3-10,18H2,1-2H3.
What are the key properties of N-(2-adamantyl)-2-amino-N-methylhexanamide?
N-(2-adamantyl)-2-amino-N-methylhexanamide has a molecular weight of 278.44 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-2-amino-N-methylhexanamide is sourced from PubChem (CID 60946117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).