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

C15H26N2O — CID 3041449

IUPACN-[2-(dimethylamino)ethyl]adamantane-1-carboxamide
SMILESCN(C)CCNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H26N2O/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)
InChIKeyTVYSNBCQOJJJLJ-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.88
Rot. Bonds4

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

N-[2-(dimethylamino)ethyl]adamantane-1-carboxamide (PubChem CID 3041449) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]adamantane-1-carboxamide
PubChem CID3041449
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-[2-(dimethylamino)ethyl]adamantane-1-carboxamide
SMILESCN(C)CCNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H26N2O/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)
InChIKeyTVYSNBCQOJJJLJ-UHFFFAOYSA-N
XLogP1.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]adamantane-1-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]adamantane-1-carboxamide (CID 3041449) is N-[2-(dimethylamino)ethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]adamantane-1-carboxamide is CN(C)CCNC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[2-(dimethylamino)ethyl]adamantane-1-carboxamide?
The InChIKey is TVYSNBCQOJJJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/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).
What are the key properties of N-[2-(dimethylamino)ethyl]adamantane-1-carboxamide?
N-[2-(dimethylamino)ethyl]adamantane-1-carboxamide has a molecular weight of 250.39 g/mol, XLogP of 1.88, 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 is sourced from PubChem (CID 3041449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).