N-[(Z)-[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]cyclopropanecarboxamide

C14H20N2O — CID 11919594

IUPACN-[(Z)-[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]cyclopropanecarboxamide
SMILESCC1(C)[C@@H]2CC=C(/C=N\NC(=O)C3CC3)[C@H]1C2
InChIInChI=1S/C14H20N2O/c1-14(2)11-6-5-10(12(14)7-11)8-15-16-13(17)9-3-4-9/h5,8-9,11-12H,3-4,6-7H2,1-2H3,(H,16,17)/b15-8-/t11-,12-/m1/s1
InChIKeyBZVPCHAAWZDASC-WWISCJFESA-N
MW232.33 g/mol
LogP2.49
Rot. Bonds3

About N-[(Z)-[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]cyclopropanecarboxamide

N-[(Z)-[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]cyclopropanecarboxamide (PubChem CID 11919594) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-[(Z)-[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(Z)-[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]cyclopropanecarboxamide
PubChem CID11919594
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-[(Z)-[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]cyclopropanecarboxamide
SMILESCC1(C)[C@@H]2CC=C(/C=N\NC(=O)C3CC3)[C@H]1C2
InChIInChI=1S/C14H20N2O/c1-14(2)11-6-5-10(12(14)7-11)8-15-16-13(17)9-3-4-9/h5,8-9,11-12H,3-4,6-7H2,1-2H3,(H,16,17)/b15-8-/t11-,12-/m1/s1
InChIKeyBZVPCHAAWZDASC-WWISCJFESA-N
XLogP2.49
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.49
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

tert-butyl N-[(Z)-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]carbamate
CID 29224666
ethyl N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methylideneamino]carbamate
CID 4671305
N-[(Z)-[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]pyridine-4-carboxamide
CID 98390251
N-[(E)-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 46804310
N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methylideneamino]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 71900864
4-amino-3,5,6-trichloro-N-[(E)-[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]pyridin-1-ium-2-carboxamide
CID 135830089
3-amino-N-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]-5-nitrobenzamide
CID 129434613
N-[(Z)-[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 11936702
2-(4-cyanophenoxy)-N-[(E)-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methylideneamino]propanamide
CID 42996878
N-[(E)-[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]-2,3,5,6-tetrafluoropyridin-4-amine
CID 97021869
N-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]-2,3,5,6-tetrafluoropyridin-4-amine
CID 129420595
(1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-carbaldehyde
CID 1201529

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]cyclopropanecarboxamide?
The IUPAC name of N-[(Z)-[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]cyclopropanecarboxamide (CID 11919594) is N-[(Z)-[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]cyclopropanecarboxamide.
What is the SMILES notation for N-[(Z)-[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]cyclopropanecarboxamide?
The canonical SMILES for N-[(Z)-[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]cyclopropanecarboxamide is CC1(C)[C@@H]2CC=C(/C=N\NC(=O)C3CC3)[C@H]1C2.
What is the InChIKey of N-[(Z)-[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]cyclopropanecarboxamide?
The InChIKey is BZVPCHAAWZDASC-WWISCJFESA-N. The full InChI is InChI=1S/C14H20N2O/c1-14(2)11-6-5-10(12(14)7-11)8-15-16-13(17)9-3-4-9/h5,8-9,11-12H,3-4,6-7H2,1-2H3,(H,16,17)/b15-8-/t11-,12-/m1/s1.
What are the key properties of N-[(Z)-[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]cyclopropanecarboxamide?
N-[(Z)-[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]cyclopropanecarboxamide has a molecular weight of 232.33 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]cyclopropanecarboxamide is sourced from PubChem (CID 11919594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).