3-methoxy-N-[(E)-4-methylidenehex-2-enyl]cyclobutan-1-amine;molecular hydrogen

C12H23NO — CID 177231808

IUPAC3-methoxy-N-[(E)-4-methylidenehex-2-enyl]cyclobutan-1-amine;molecular hydrogen
SMILESC=C(/C=C/CNC1CC(OC)C1)CC.[H][H]
InChIInChI=1S/C12H21NO.H2/c1-4-10(2)6-5-7-13-11-8-12(9-11)14-3;/h5-6,11-13H,2,4,7-9H2,1,3H3;1H/b6-5+;
InChIKeyRESJDYHXZYINQB-IPZCTEOASA-N
MW197.32 g/mol
LogP2.52
Rot. Bonds6

About 3-methoxy-N-[(E)-4-methylidenehex-2-enyl]cyclobutan-1-amine;molecular hydrogen

3-methoxy-N-[(E)-4-methylidenehex-2-enyl]cyclobutan-1-amine;molecular hydrogen (PubChem CID 177231808) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 3-methoxy-N-[(E)-4-methylidenehex-2-enyl]cyclobutan-1-amine;molecular hydrogen.

Molecular Properties

Compound Name3-methoxy-N-[(E)-4-methylidenehex-2-enyl]cyclobutan-1-amine;molecular hydrogen
PubChem CID177231808
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name3-methoxy-N-[(E)-4-methylidenehex-2-enyl]cyclobutan-1-amine;molecular hydrogen
SMILESC=C(/C=C/CNC1CC(OC)C1)CC.[H][H]
InChIInChI=1S/C12H21NO.H2/c1-4-10(2)6-5-7-13-11-8-12(9-11)14-3;/h5-6,11-13H,2,4,7-9H2,1,3H3;1H/b6-5+;
InChIKeyRESJDYHXZYINQB-IPZCTEOASA-N
XLogP2.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(E)-4-methylidenehex-2-enyl]cyclobutan-1-amine;molecular hydrogen?
The IUPAC name of 3-methoxy-N-[(E)-4-methylidenehex-2-enyl]cyclobutan-1-amine;molecular hydrogen (CID 177231808) is 3-methoxy-N-[(E)-4-methylidenehex-2-enyl]cyclobutan-1-amine;molecular hydrogen.
What is the SMILES notation for 3-methoxy-N-[(E)-4-methylidenehex-2-enyl]cyclobutan-1-amine;molecular hydrogen?
The canonical SMILES for 3-methoxy-N-[(E)-4-methylidenehex-2-enyl]cyclobutan-1-amine;molecular hydrogen is C=C(/C=C/CNC1CC(OC)C1)CC.[H][H].
What is the InChIKey of 3-methoxy-N-[(E)-4-methylidenehex-2-enyl]cyclobutan-1-amine;molecular hydrogen?
The InChIKey is RESJDYHXZYINQB-IPZCTEOASA-N. The full InChI is InChI=1S/C12H21NO.H2/c1-4-10(2)6-5-7-13-11-8-12(9-11)14-3;/h5-6,11-13H,2,4,7-9H2,1,3H3;1H/b6-5+;.
What are the key properties of 3-methoxy-N-[(E)-4-methylidenehex-2-enyl]cyclobutan-1-amine;molecular hydrogen?
3-methoxy-N-[(E)-4-methylidenehex-2-enyl]cyclobutan-1-amine;molecular hydrogen has a molecular weight of 197.32 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(E)-4-methylidenehex-2-enyl]cyclobutan-1-amine;molecular hydrogen is sourced from PubChem (CID 177231808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).