N-[3-[(Z)-1-amino-3-methyliminoprop-1-enyl]-4-methylphenyl]bicyclo[2.2.1]heptane-7-carboxamide

C19H25N3O — CID 176940484

IUPACN-[3-[(Z)-1-amino-3-methyliminoprop-1-enyl]-4-methylphenyl]bicyclo[2.2.1]heptane-7-carboxamide
SMILESC/N=C/C=C(\N)c1cc(NC(=O)C2C3CCC2CC3)ccc1C
InChIInChI=1S/C19H25N3O/c1-12-3-8-15(11-16(12)17(20)9-10-21-2)22-19(23)18-13-4-5-14(18)7-6-13/h3,8-11,13-14,18H,4-7,20H2,1-2H3,(H,22,23)/b17-9-,21-10+
InChIKeyNQBWIBGVZMHDSG-ZOAQESMLSA-N
MW311.43 g/mol
LogP3.37
Rot. Bonds4

About N-[3-[(Z)-1-amino-3-methyliminoprop-1-enyl]-4-methylphenyl]bicyclo[2.2.1]heptane-7-carboxamide

N-[3-[(Z)-1-amino-3-methyliminoprop-1-enyl]-4-methylphenyl]bicyclo[2.2.1]heptane-7-carboxamide (PubChem CID 176940484) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[3-[(Z)-1-amino-3-methyliminoprop-1-enyl]-4-methylphenyl]bicyclo[2.2.1]heptane-7-carboxamide.

Molecular Properties

Compound NameN-[3-[(Z)-1-amino-3-methyliminoprop-1-enyl]-4-methylphenyl]bicyclo[2.2.1]heptane-7-carboxamide
PubChem CID176940484
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC NameN-[3-[(Z)-1-amino-3-methyliminoprop-1-enyl]-4-methylphenyl]bicyclo[2.2.1]heptane-7-carboxamide
SMILESC/N=C/C=C(\N)c1cc(NC(=O)C2C3CCC2CC3)ccc1C
InChIInChI=1S/C19H25N3O/c1-12-3-8-15(11-16(12)17(20)9-10-21-2)22-19(23)18-13-4-5-14(18)7-6-13/h3,8-11,13-14,18H,4-7,20H2,1-2H3,(H,22,23)/b17-9-,21-10+
InChIKeyNQBWIBGVZMHDSG-ZOAQESMLSA-N
XLogP3.37
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(Z)-1-amino-3-methyliminoprop-1-enyl]-4-methylphenyl]bicyclo[2.2.1]heptane-7-carboxamide?
The IUPAC name of N-[3-[(Z)-1-amino-3-methyliminoprop-1-enyl]-4-methylphenyl]bicyclo[2.2.1]heptane-7-carboxamide (CID 176940484) is N-[3-[(Z)-1-amino-3-methyliminoprop-1-enyl]-4-methylphenyl]bicyclo[2.2.1]heptane-7-carboxamide.
What is the SMILES notation for N-[3-[(Z)-1-amino-3-methyliminoprop-1-enyl]-4-methylphenyl]bicyclo[2.2.1]heptane-7-carboxamide?
The canonical SMILES for N-[3-[(Z)-1-amino-3-methyliminoprop-1-enyl]-4-methylphenyl]bicyclo[2.2.1]heptane-7-carboxamide is C/N=C/C=C(\N)c1cc(NC(=O)C2C3CCC2CC3)ccc1C.
What is the InChIKey of N-[3-[(Z)-1-amino-3-methyliminoprop-1-enyl]-4-methylphenyl]bicyclo[2.2.1]heptane-7-carboxamide?
The InChIKey is NQBWIBGVZMHDSG-ZOAQESMLSA-N. The full InChI is InChI=1S/C19H25N3O/c1-12-3-8-15(11-16(12)17(20)9-10-21-2)22-19(23)18-13-4-5-14(18)7-6-13/h3,8-11,13-14,18H,4-7,20H2,1-2H3,(H,22,23)/b17-9-,21-10+.
What are the key properties of N-[3-[(Z)-1-amino-3-methyliminoprop-1-enyl]-4-methylphenyl]bicyclo[2.2.1]heptane-7-carboxamide?
N-[3-[(Z)-1-amino-3-methyliminoprop-1-enyl]-4-methylphenyl]bicyclo[2.2.1]heptane-7-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(Z)-1-amino-3-methyliminoprop-1-enyl]-4-methylphenyl]bicyclo[2.2.1]heptane-7-carboxamide is sourced from PubChem (CID 176940484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).