4-(2-bicyclo[2.2.1]heptanyl)pentan-2-one;1-(2-bicyclo[2.2.1]heptanyl)-N-(propan-2-ylideneamino)ethanamine

C24H42N2O — CID 160952610

IUPAC4-(2-bicyclo[2.2.1]heptanyl)pentan-2-one;1-(2-bicyclo[2.2.1]heptanyl)-N-(propan-2-ylideneamino)ethanamine
SMILESCC(=O)CC(C)C1CC2CCC1C2.CC(C)=NNC(C)C1CC2CCC1C2
InChIInChI=1S/C12H22N2.C12H20O/c1-8(2)13-14-9(3)12-7-10-4-5-11(12)6-10;1-8(5-9(2)13)12-7-10-3-4-11(12)6-10/h9-12,14H,4-7H2,1-3H3;8,10-12H,3-7H2,1-2H3
InChIKeySVYQJRQEPPCOJX-UHFFFAOYSA-N
MW374.61 g/mol
LogP5.83
Rot. Bonds6

About 4-(2-bicyclo[2.2.1]heptanyl)pentan-2-one;1-(2-bicyclo[2.2.1]heptanyl)-N-(propan-2-ylideneamino)ethanamine

4-(2-bicyclo[2.2.1]heptanyl)pentan-2-one;1-(2-bicyclo[2.2.1]heptanyl)-N-(propan-2-ylideneamino)ethanamine (PubChem CID 160952610) has the molecular formula C24H42N2O and a molecular weight of 374.61 g/mol. Its IUPAC name is 4-(2-bicyclo[2.2.1]heptanyl)pentan-2-one;1-(2-bicyclo[2.2.1]heptanyl)-N-(propan-2-ylideneamino)ethanamine.

Molecular Properties

Compound Name4-(2-bicyclo[2.2.1]heptanyl)pentan-2-one;1-(2-bicyclo[2.2.1]heptanyl)-N-(propan-2-ylideneamino)ethanamine
PubChem CID160952610
Molecular FormulaC24H42N2O
Molecular Weight374.61 g/mol
Exact Mass374.33
IUPAC Name4-(2-bicyclo[2.2.1]heptanyl)pentan-2-one;1-(2-bicyclo[2.2.1]heptanyl)-N-(propan-2-ylideneamino)ethanamine
SMILESCC(=O)CC(C)C1CC2CCC1C2.CC(C)=NNC(C)C1CC2CCC1C2
InChIInChI=1S/C12H22N2.C12H20O/c1-8(2)13-14-9(3)12-7-10-4-5-11(12)6-10;1-8(5-9(2)13)12-7-10-3-4-11(12)6-10/h9-12,14H,4-7H2,1-3H3;8,10-12H,3-7H2,1-2H3
InChIKeySVYQJRQEPPCOJX-UHFFFAOYSA-N
XLogP5.83
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.61
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(2-bicyclo[2.2.1]heptanyl)pentan-2-one;1-(2-bicyclo[2.2.1]heptanyl)-N-(propan-2-ylideneamino)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-bromoacetamide
CID 60651144
N-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-methylbutanamide
CID 98233114
1-N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]cyclohexane-1,4-dicarboxamide
CID 98390836
N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]ethyl]acetamide
CID 103604103
[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]urea
CID 98054797
N,N'-bis[1-(2-bicyclo[2.2.1]heptanyl)ethyl]pentanediamide
CID 3500052
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-chloroacetamide
CID 98137772
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-chloroacetamide
CID 98137773
3-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]sulfanylbutanoic acid
CID 66136047
(1R)-N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2,2-dibromo-1-methylcyclopropane-1-carboxamide
CID 100705817
(2S,3R)-2-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]-3-hydroxybutanoic acid
CID 104965754
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(butan-2-ylamino)acetamide
CID 60648644

Frequently Asked Questions

What is the IUPAC name of 4-(2-bicyclo[2.2.1]heptanyl)pentan-2-one;1-(2-bicyclo[2.2.1]heptanyl)-N-(propan-2-ylideneamino)ethanamine?
The IUPAC name of 4-(2-bicyclo[2.2.1]heptanyl)pentan-2-one;1-(2-bicyclo[2.2.1]heptanyl)-N-(propan-2-ylideneamino)ethanamine (CID 160952610) is 4-(2-bicyclo[2.2.1]heptanyl)pentan-2-one;1-(2-bicyclo[2.2.1]heptanyl)-N-(propan-2-ylideneamino)ethanamine.
What is the SMILES notation for 4-(2-bicyclo[2.2.1]heptanyl)pentan-2-one;1-(2-bicyclo[2.2.1]heptanyl)-N-(propan-2-ylideneamino)ethanamine?
The canonical SMILES for 4-(2-bicyclo[2.2.1]heptanyl)pentan-2-one;1-(2-bicyclo[2.2.1]heptanyl)-N-(propan-2-ylideneamino)ethanamine is CC(=O)CC(C)C1CC2CCC1C2.CC(C)=NNC(C)C1CC2CCC1C2.
What is the InChIKey of 4-(2-bicyclo[2.2.1]heptanyl)pentan-2-one;1-(2-bicyclo[2.2.1]heptanyl)-N-(propan-2-ylideneamino)ethanamine?
The InChIKey is SVYQJRQEPPCOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2.C12H20O/c1-8(2)13-14-9(3)12-7-10-4-5-11(12)6-10;1-8(5-9(2)13)12-7-10-3-4-11(12)6-10/h9-12,14H,4-7H2,1-3H3;8,10-12H,3-7H2,1-2H3.
What are the key properties of 4-(2-bicyclo[2.2.1]heptanyl)pentan-2-one;1-(2-bicyclo[2.2.1]heptanyl)-N-(propan-2-ylideneamino)ethanamine?
4-(2-bicyclo[2.2.1]heptanyl)pentan-2-one;1-(2-bicyclo[2.2.1]heptanyl)-N-(propan-2-ylideneamino)ethanamine has a molecular weight of 374.61 g/mol, XLogP of 5.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bicyclo[2.2.1]heptanyl)pentan-2-one;1-(2-bicyclo[2.2.1]heptanyl)-N-(propan-2-ylideneamino)ethanamine is sourced from PubChem (CID 160952610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).