N-[3-(dimethylamino)-2,2-dimethylpropyl]adamantane-1-carboxamide

C18H32N2O — CID 134008139

IUPACN-[3-(dimethylamino)-2,2-dimethylpropyl]adamantane-1-carboxamide
SMILESCN(C)CC(C)(C)CNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H32N2O/c1-17(2,12-20(3)4)11-19-16(21)18-8-13-5-14(9-18)7-15(6-13)10-18/h13-15H,5-12H2,1-4H3,(H,19,21)
InChIKeyUDUUWFIIQHSNMS-UHFFFAOYSA-N
MW292.47 g/mol
LogP2.91
Rot. Bonds5

About N-[3-(dimethylamino)-2,2-dimethylpropyl]adamantane-1-carboxamide

N-[3-(dimethylamino)-2,2-dimethylpropyl]adamantane-1-carboxamide (PubChem CID 134008139) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2,2-dimethylpropyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2,2-dimethylpropyl]adamantane-1-carboxamide
PubChem CID134008139
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC NameN-[3-(dimethylamino)-2,2-dimethylpropyl]adamantane-1-carboxamide
SMILESCN(C)CC(C)(C)CNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H32N2O/c1-17(2,12-20(3)4)11-19-16(21)18-8-13-5-14(9-18)7-15(6-13)10-18/h13-15H,5-12H2,1-4H3,(H,19,21)
InChIKeyUDUUWFIIQHSNMS-UHFFFAOYSA-N
XLogP2.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]adamantane-1-carboxamide
CID 75361888
N-(2-hydroxy-2,3-dimethylbutyl)adamantane-1-carboxamide
CID 111483676
(3R,6R)-N-[2-(dimethylamino)ethyl]tricyclo[4.3.1.13,8]undecane-1-carboxamide
CID 6345940
N-[(2R)-2-hydroxypropyl]adamantane-1-carboxamide
CID 7106778
N-(3-chloro-2,2-dimethylpropyl)-3,5-dimethyladamantane-1-carboxamide
CID 115364559
2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methylpropanamide;dihydrochloride
CID 119828440
1-cyano-N-[3-(dimethylamino)-2,2-dimethylpropyl]cyclohexane-1-carboxamide
CID 61459075
N-[3-(tert-butylamino)-3-oxopropyl]adamantane-1-carboxamide
CID 51175569
N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-oxoethyl]adamantane-1-carboxamide
CID 18118534
N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide
CID 59842400
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]adamantane-1-carboxamide
CID 111481019
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-ethylpyrrolidine-2-carboxamide
CID 83079627

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]adamantane-1-carboxamide?
The IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]adamantane-1-carboxamide (CID 134008139) is N-[3-(dimethylamino)-2,2-dimethylpropyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)-2,2-dimethylpropyl]adamantane-1-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)-2,2-dimethylpropyl]adamantane-1-carboxamide is CN(C)CC(C)(C)CNC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[3-(dimethylamino)-2,2-dimethylpropyl]adamantane-1-carboxamide?
The InChIKey is UDUUWFIIQHSNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-17(2,12-20(3)4)11-19-16(21)18-8-13-5-14(9-18)7-15(6-13)10-18/h13-15H,5-12H2,1-4H3,(H,19,21).
What are the key properties of N-[3-(dimethylamino)-2,2-dimethylpropyl]adamantane-1-carboxamide?
N-[3-(dimethylamino)-2,2-dimethylpropyl]adamantane-1-carboxamide has a molecular weight of 292.47 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2,2-dimethylpropyl]adamantane-1-carboxamide is sourced from PubChem (CID 134008139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).