adamantane-1-carboxamide

C11H17NO — CID 21686

IUPACadamantane-1-carboxamide
SMILESNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C11H17NO/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2,(H2,12,13)
InChIKeyCKBZJTAMRPPVSR-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.69
Rot. Bonds1

About adamantane-1-carboxamide

adamantane-1-carboxamide (PubChem CID 21686) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is adamantane-1-carboxamide.

Molecular Properties

Compound Nameadamantane-1-carboxamide
PubChem CID21686
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Nameadamantane-1-carboxamide
SMILESNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C11H17NO/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2,(H2,12,13)
InChIKeyCKBZJTAMRPPVSR-UHFFFAOYSA-N
XLogP1.69
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-aminoadamantane-1-carboxamide
CID 67083536
(1R,3S,7S)-tricyclo[5.3.1.03,9]undecane-1-carboxamide
CID 70267295
adamantane-1-carboxylic acid;cobalt
CID 174948331
adamantane-1-carboxylic acid;hydrobromide
CID 175234233
1-adamantyl-[2,3-bis(adamantane-1-carbonyl)cyclopropyl]methanone
CID 10929489
tetrakis(adamantane-1-carboxylate);zirconium(4+)
CID 173130566
tetrakis(adamantane-1-carboxylate);hafnium(4+)
CID 158683841
adamantane-1-carboxamide;4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 159597306
N'-hydroxyadamantane-1-carboximidamide
CID 6019767
acetic acid;adamantane-1-carboxylic acid
CID 67530595
1-(1-adamantyl)-2,2-dihydroxyethanone
CID 15174047
adamantane;urea
CID 68761520

Frequently Asked Questions

What is the IUPAC name of adamantane-1-carboxamide?
The IUPAC name of adamantane-1-carboxamide (CID 21686) is adamantane-1-carboxamide.
What is the SMILES notation for adamantane-1-carboxamide?
The canonical SMILES for adamantane-1-carboxamide is NC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of adamantane-1-carboxamide?
The InChIKey is CKBZJTAMRPPVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2,(H2,12,13).
What are the key properties of adamantane-1-carboxamide?
adamantane-1-carboxamide has a molecular weight of 179.26 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for adamantane-1-carboxamide is sourced from PubChem (CID 21686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).