N-[(3-aminocyclohexyl)methyl]adamantane-2-carboxamide

C18H30N2O — CID 106123817

IUPACN-[(3-aminocyclohexyl)methyl]adamantane-2-carboxamide
SMILESNC1CCCC(CNC(=O)C2C3CC4CC(C3)CC2C4)C1
InChIInChI=1S/C18H30N2O/c19-16-3-1-2-11(9-16)10-20-18(21)17-14-5-12-4-13(7-14)8-15(17)6-12/h11-17H,1-10,19H2,(H,20,21)
InChIKeyFUNXQMCDROOHJF-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.69
Rot. Bonds3

About N-[(3-aminocyclohexyl)methyl]adamantane-2-carboxamide

N-[(3-aminocyclohexyl)methyl]adamantane-2-carboxamide (PubChem CID 106123817) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[(3-aminocyclohexyl)methyl]adamantane-2-carboxamide.

Molecular Properties

Compound NameN-[(3-aminocyclohexyl)methyl]adamantane-2-carboxamide
PubChem CID106123817
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[(3-aminocyclohexyl)methyl]adamantane-2-carboxamide
SMILESNC1CCCC(CNC(=O)C2C3CC4CC(C3)CC2C4)C1
InChIInChI=1S/C18H30N2O/c19-16-3-1-2-11(9-16)10-20-18(21)17-14-5-12-4-13(7-14)8-15(17)6-12/h11-17H,1-10,19H2,(H,20,21)
InChIKeyFUNXQMCDROOHJF-UHFFFAOYSA-N
XLogP2.69
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chlorocyclohexyl)methyl]adamantane-2-carboxamide
CID 106131966
N-(cyclohexylmethyl)adamantane-2-carboxamide
CID 55435889
N-[(3-aminocyclohexyl)methyl]bicyclo[3.1.0]hexane-3-carboxamide
CID 114146502
N-[(3-aminocyclopentyl)methyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 106121317
N-[(3-aminocyclohexyl)methyl]oxane-4-carboxamide
CID 106123693
3-amino-N-[(3-hydroxycyclohexyl)methyl]cyclohexane-1-carboxamide
CID 104530465
1-[(3-aminocyclohexyl)methyl]-3-cyclobutylurea
CID 106125254
N-[(3-aminocyclohexyl)methyl]-2-cyclohexylacetamide
CID 106123088
N-[(3-aminocyclohexyl)methyl]-2-methyloxolane-3-carboxamide
CID 106123142
N-[(3-aminocyclohexyl)methyl]-5-methyloxolane-3-carboxamide
CID 114146486
N-[(3-aminocyclohexyl)methyl]azepane-1-carboxamide
CID 106125214
N-[(3-aminocyclopentyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
CID 106121226

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclohexyl)methyl]adamantane-2-carboxamide?
The IUPAC name of N-[(3-aminocyclohexyl)methyl]adamantane-2-carboxamide (CID 106123817) is N-[(3-aminocyclohexyl)methyl]adamantane-2-carboxamide.
What is the SMILES notation for N-[(3-aminocyclohexyl)methyl]adamantane-2-carboxamide?
The canonical SMILES for N-[(3-aminocyclohexyl)methyl]adamantane-2-carboxamide is NC1CCCC(CNC(=O)C2C3CC4CC(C3)CC2C4)C1.
What is the InChIKey of N-[(3-aminocyclohexyl)methyl]adamantane-2-carboxamide?
The InChIKey is FUNXQMCDROOHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c19-16-3-1-2-11(9-16)10-20-18(21)17-14-5-12-4-13(7-14)8-15(17)6-12/h11-17H,1-10,19H2,(H,20,21).
What are the key properties of N-[(3-aminocyclohexyl)methyl]adamantane-2-carboxamide?
N-[(3-aminocyclohexyl)methyl]adamantane-2-carboxamide has a molecular weight of 290.45 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclohexyl)methyl]adamantane-2-carboxamide is sourced from PubChem (CID 106123817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).