N-[(Z)-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]adamantane-1-carboxamide

C19H28N2O — CID 7438142

IUPACN-[(Z)-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]adamantane-1-carboxamide
SMILESO=C(N/N=C\[C@@H]1C[C@H]2CC[C@H]1C2)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H28N2O/c22-18(21-20-11-17-7-12-1-2-16(17)6-12)19-8-13-3-14(9-19)5-15(4-13)10-19/h11-17H,1-10H2,(H,21,22)/b20-11-/t12-,13?,14?,15?,16-,17-,19?/m0/s1
InChIKeyFPAPEQASBSKZKC-KBCLXRJRSA-N
MW300.45 g/mol
LogP3.74
Rot. Bonds3

About N-[(Z)-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]adamantane-1-carboxamide

N-[(Z)-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]adamantane-1-carboxamide (PubChem CID 7438142) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is N-[(Z)-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]adamantane-1-carboxamide
PubChem CID7438142
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC NameN-[(Z)-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]adamantane-1-carboxamide
SMILESO=C(N/N=C\[C@@H]1C[C@H]2CC[C@H]1C2)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H28N2O/c22-18(21-20-11-17-7-12-1-2-16(17)6-12)19-8-13-3-14(9-19)5-15(4-13)10-19/h11-17H,1-10H2,(H,21,22)/b20-11-/t12-,13?,14?,15?,16-,17-,19?/m0/s1
InChIKeyFPAPEQASBSKZKC-KBCLXRJRSA-N
XLogP3.74
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-2-bicyclo[2.2.1]heptanylmethylideneamino]cyclopropanecarboxamide
CID 6163235
N,N'-bis(2-bicyclo[2.2.1]heptanylmethylideneamino)hexanediamide
CID 3645839
N-[(Z)-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-N'-[(Z)-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]octanediamide
CID 100806176
N-[(Z)-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]methylideneamino]cyclohexanecarboxamide
CID 51028154
(2-bicyclo[2.2.2]octanylmethylideneamino)urea
CID 165355280
N-(2-bicyclo[2.2.1]heptanylmethylideneamino)decanamide
CID 4197007
N-[(E)-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-N'-[(E)-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-2-(3-methylbutyl)propanediamide
CID 98275419
N,N'-bis[(Z)-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-2-(3-methylbutyl)propanediamide
CID 98275412
N-[(Z)-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-4-nitrobenzamide
CID 7104045
N-(2-bicyclo[2.2.1]heptanylmethylideneamino)-2-bromobenzamide
CID 3098524
N-[(Z)-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]furan-2-carboxamide
CID 7290216
N-[(Z)-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 6982485

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]adamantane-1-carboxamide?
The IUPAC name of N-[(Z)-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]adamantane-1-carboxamide (CID 7438142) is N-[(Z)-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]adamantane-1-carboxamide.
What is the SMILES notation for N-[(Z)-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]adamantane-1-carboxamide?
The canonical SMILES for N-[(Z)-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]adamantane-1-carboxamide is O=C(N/N=C\[C@@H]1C[C@H]2CC[C@H]1C2)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[(Z)-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]adamantane-1-carboxamide?
The InChIKey is FPAPEQASBSKZKC-KBCLXRJRSA-N. The full InChI is InChI=1S/C19H28N2O/c22-18(21-20-11-17-7-12-1-2-16(17)6-12)19-8-13-3-14(9-19)5-15(4-13)10-19/h11-17H,1-10H2,(H,21,22)/b20-11-/t12-,13?,14?,15?,16-,17-,19?/m0/s1.
What are the key properties of N-[(Z)-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]adamantane-1-carboxamide?
N-[(Z)-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]adamantane-1-carboxamide has a molecular weight of 300.45 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]adamantane-1-carboxamide is sourced from PubChem (CID 7438142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).