6-(cyclopropylmethyl)-N-methylidene-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide

C21H25NO — CID 166985401

IUPAC6-(cyclopropylmethyl)-N-methylidene-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide
SMILESC=NC(=O)C12CC3CC(c4ccccc4)(CC1C3CC1CC1)C2
InChIInChI=1S/C21H25NO/c1-22-19(23)21-11-15-10-20(13-21,16-5-3-2-4-6-16)12-18(21)17(15)9-14-7-8-14/h2-6,14-15,17-18H,1,7-13H2
InChIKeyAJUQBLDVRNEDDP-UHFFFAOYSA-N
MW307.44 g/mol
LogP4.39
Rot. Bonds4

About 6-(cyclopropylmethyl)-N-methylidene-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide

6-(cyclopropylmethyl)-N-methylidene-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide (PubChem CID 166985401) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is 6-(cyclopropylmethyl)-N-methylidene-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide.

Molecular Properties

Compound Name6-(cyclopropylmethyl)-N-methylidene-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide
PubChem CID166985401
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC Name6-(cyclopropylmethyl)-N-methylidene-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide
SMILESC=NC(=O)C12CC3CC(c4ccccc4)(CC1C3CC1CC1)C2
InChIInChI=1S/C21H25NO/c1-22-19(23)21-11-15-10-20(13-21,16-5-3-2-4-6-16)12-18(21)17(15)9-14-7-8-14/h2-6,14-15,17-18H,1,7-13H2
InChIKeyAJUQBLDVRNEDDP-UHFFFAOYSA-N
XLogP4.39
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-6-(2-phenylethyl)tricyclo[3.3.1.03,7]nonane-3-carbothioamide
CID 166985126
N-[[4-(aminomethyl)cyclohexyl]methylidene]-6-(chloromethyl)-3-phenyladamantane-1-carboxamide
CID 162754618
N-(4-aminocyclohexyl)-1-phenyl-6-propyltricyclo[3.3.1.03,7]nonane-3-carbothioamide
CID 166908976
N-[4-(aminomethyl)cyclohexyl]-6-benzyl-3-phenyladamantane-1-carboxamide
CID 162525714
[(4S)-4-amino-3,3-dimethylpiperidin-1-yl]-[6-(cyclopropylmethyl)-3-phenyl-1-adamantyl]methanethione
CID 162525288
[(4S)-4-amino-3,3-dimethylpiperidin-1-yl]-(6-benzyl-1-phenyl-3-tricyclo[3.3.1.03,7]nonanyl)methanethione
CID 166908949
(7R)-N-(4-aminocyclohexyl)-6-ethyl-3-phenyladamantane-1-carboxamide
CID 162754679
methyl 6-(2-hydroxyethyl)-3-phenyladamantane-1-carboxylate
CID 171762434
N-[4-(aminomethyl)cyclohexyl]-6-[(ethoxyamino)methyl]-3-phenyladamantane-1-carboxamide
CID 175633191
N-[4-(aminomethyl)cyclohexyl]-6-(chloromethyl)-3-phenyladamantane-1-carbothioamide
CID 162525268
N-[4-(aminomethyl)cyclohexyl]-6-(3,3-difluoropropyl)-3-phenyladamantane-1-carboxamide
CID 175630052
6-methylidene-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxylic acid
CID 162525958

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethyl)-N-methylidene-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide?
The IUPAC name of 6-(cyclopropylmethyl)-N-methylidene-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide (CID 166985401) is 6-(cyclopropylmethyl)-N-methylidene-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide.
What is the SMILES notation for 6-(cyclopropylmethyl)-N-methylidene-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide?
The canonical SMILES for 6-(cyclopropylmethyl)-N-methylidene-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide is C=NC(=O)C12CC3CC(c4ccccc4)(CC1C3CC1CC1)C2.
What is the InChIKey of 6-(cyclopropylmethyl)-N-methylidene-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide?
The InChIKey is AJUQBLDVRNEDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO/c1-22-19(23)21-11-15-10-20(13-21,16-5-3-2-4-6-16)12-18(21)17(15)9-14-7-8-14/h2-6,14-15,17-18H,1,7-13H2.
What are the key properties of 6-(cyclopropylmethyl)-N-methylidene-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide?
6-(cyclopropylmethyl)-N-methylidene-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide has a molecular weight of 307.44 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethyl)-N-methylidene-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide is sourced from PubChem (CID 166985401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).