N-(3-azabicyclo[3.1.0]hexan-6-yl)adamantane-2-carboxamide

C16H24N2O — CID 81096242

IUPACN-(3-azabicyclo[3.1.0]hexan-6-yl)adamantane-2-carboxamide
SMILESO=C(NC1C2CNCC21)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H24N2O/c19-16(18-15-12-6-17-7-13(12)15)14-10-2-8-1-9(4-10)5-11(14)3-8/h8-15,17H,1-7H2,(H,18,19)
InChIKeyCSAAZBYDQOECHS-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.39
Rot. Bonds2

About N-(3-azabicyclo[3.1.0]hexan-6-yl)adamantane-2-carboxamide

N-(3-azabicyclo[3.1.0]hexan-6-yl)adamantane-2-carboxamide (PubChem CID 81096242) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-(3-azabicyclo[3.1.0]hexan-6-yl)adamantane-2-carboxamide.

Molecular Properties

Compound NameN-(3-azabicyclo[3.1.0]hexan-6-yl)adamantane-2-carboxamide
PubChem CID81096242
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-(3-azabicyclo[3.1.0]hexan-6-yl)adamantane-2-carboxamide
SMILESO=C(NC1C2CNCC21)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H24N2O/c19-16(18-15-12-6-17-7-13(12)15)14-10-2-8-1-9(4-10)5-11(14)3-8/h8-15,17H,1-7H2,(H,18,19)
InChIKeyCSAAZBYDQOECHS-UHFFFAOYSA-N
XLogP1.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-hydroxycyclohexyl)adamantane-2-carboxamide
CID 78914074
N-(oxetan-3-yl)adamantane-2-carboxamide
CID 81096479
N-(8-azabicyclo[3.2.1]octan-3-yl)adamantane-2-carboxamide
CID 81099772
N-(6-oxopiperidin-3-yl)adamantane-2-carboxamide
CID 78990985
(2R)-N-(3-azabicyclo[3.1.0]hexan-6-yl)azetidine-2-carboxamide
CID 130636996
N-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide
CID 11789290
N-(2,3-dihydroxypropyl)adamantane-2-carboxamide
CID 81096560
N-(2-adamantyl)-2-(azetidin-3-yl)acetamide
CID 64618558
N-(4-aminocyclohexyl)adamantane-2-carboxamide;hydrochloride
CID 119477426
N-propyladamantane-2-carboxamide
CID 78913673
N-(2-chlorocyclopentyl)adamantane-2-carboxamide
CID 106443807
N-(2-bromocyclopentyl)adamantane-2-carboxamide
CID 81095777

Frequently Asked Questions

What is the IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)adamantane-2-carboxamide?
The IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)adamantane-2-carboxamide (CID 81096242) is N-(3-azabicyclo[3.1.0]hexan-6-yl)adamantane-2-carboxamide.
What is the SMILES notation for N-(3-azabicyclo[3.1.0]hexan-6-yl)adamantane-2-carboxamide?
The canonical SMILES for N-(3-azabicyclo[3.1.0]hexan-6-yl)adamantane-2-carboxamide is O=C(NC1C2CNCC21)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(3-azabicyclo[3.1.0]hexan-6-yl)adamantane-2-carboxamide?
The InChIKey is CSAAZBYDQOECHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c19-16(18-15-12-6-17-7-13(12)15)14-10-2-8-1-9(4-10)5-11(14)3-8/h8-15,17H,1-7H2,(H,18,19).
What are the key properties of N-(3-azabicyclo[3.1.0]hexan-6-yl)adamantane-2-carboxamide?
N-(3-azabicyclo[3.1.0]hexan-6-yl)adamantane-2-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azabicyclo[3.1.0]hexan-6-yl)adamantane-2-carboxamide is sourced from PubChem (CID 81096242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).