N-[2-(dimethylamino)ethyl]adamantane-1-carboxamide;hydrochloride

C15H27ClN2O — CID 18552772

IUPACN-[2-(dimethylamino)ethyl]adamantane-1-carboxamide;hydrochloride
SMILESCN(C)CCNC(=O)C12CC3CC(CC(C3)C1)C2.Cl
InChIInChI=1S/C15H26N2O.ClH/c1-17(2)4-3-16-14(18)15-8-11-5-12(9-15)7-13(6-11)10-15;/h11-13H,3-10H2,1-2H3,(H,16,18);1H
InChIKeyHITKVZSCCPHBIH-UHFFFAOYSA-N
MW286.85 g/mol
LogP2.30
Rot. Bonds4

About N-[2-(dimethylamino)ethyl]adamantane-1-carboxamide;hydrochloride

N-[2-(dimethylamino)ethyl]adamantane-1-carboxamide;hydrochloride (PubChem CID 18552772) has the molecular formula C15H27ClN2O and a molecular weight of 286.85 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]adamantane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]adamantane-1-carboxamide;hydrochloride
PubChem CID18552772
Molecular FormulaC15H27ClN2O
Molecular Weight286.85 g/mol
Exact Mass286.18
IUPAC NameN-[2-(dimethylamino)ethyl]adamantane-1-carboxamide;hydrochloride
SMILESCN(C)CCNC(=O)C12CC3CC(CC(C3)C1)C2.Cl
InChIInChI=1S/C15H26N2O.ClH/c1-17(2)4-3-16-14(18)15-8-11-5-12(9-15)7-13(6-11)10-15;/h11-13H,3-10H2,1-2H3,(H,16,18);1H
InChIKeyHITKVZSCCPHBIH-UHFFFAOYSA-N
XLogP2.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.85
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Adamantane-1-carbonyl)-4-ethylpiperazine
CID 4348598
Tricyclo(3.3.1.13,7)decane-1-carboxamide, N-(2-(diethylamino)ethyl)-, hydrochloride (1:1)
CID 212874
2-Adamantan-1-yl-N-decyl-acetamide
CID 11382033
(2S)-2-(adamantan-1-yl)-2-amino-N-(cyanomethyl)-N-methylacetamide
CID 23645895
(alphaS)-alpha-Amino-N-(cyanomethyl)-N-ethyltricyclo[3.3.1.13,7]decane-1-acetamide
CID 23645896
Adamantan-1-yl-piperazin-1-yl-methanone
CID 17233943
1-(Adamantane-1-carbonyl)-4-methylpiperazine
CID 2827468
(2S)-2-(adamantan-1-yl)-2-amino-N-[(1S)-1-cyanoethyl]acetamide
CID 23645892
(2S)-2-(adamantan-1-yl)-2-amino-N-(cyanomethyl)-N-propylacetamide
CID 23645897
(3,5-Dimethyl-adamantan-1-yl)-(4-methyl-piperazin-1-yl)-methanone
CID 2842992
2-(1-adamantyl)-N-cyclopropylacetamide
CID 5116038
1-Adamantan-1-yl-2-(2-dimethylamino-ethylamino)-propan-1-one
CID 16681791

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]adamantane-1-carboxamide;hydrochloride?
The IUPAC name of N-[2-(dimethylamino)ethyl]adamantane-1-carboxamide;hydrochloride (CID 18552772) is N-[2-(dimethylamino)ethyl]adamantane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]adamantane-1-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(dimethylamino)ethyl]adamantane-1-carboxamide;hydrochloride is CN(C)CCNC(=O)C12CC3CC(CC(C3)C1)C2.Cl.
What is the InChIKey of N-[2-(dimethylamino)ethyl]adamantane-1-carboxamide;hydrochloride?
The InChIKey is HITKVZSCCPHBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O.ClH/c1-17(2)4-3-16-14(18)15-8-11-5-12(9-15)7-13(6-11)10-15;/h11-13H,3-10H2,1-2H3,(H,16,18);1H.
What are the key properties of N-[2-(dimethylamino)ethyl]adamantane-1-carboxamide;hydrochloride?
N-[2-(dimethylamino)ethyl]adamantane-1-carboxamide;hydrochloride has a molecular weight of 286.85 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]adamantane-1-carboxamide;hydrochloride is sourced from PubChem (CID 18552772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).