3,3-dimethyl-N-[(Z)-2-(methylideneamino)prop-1-enyl]butan-2-imine

C10H18N2 — CID 139505926

IUPAC3,3-dimethyl-N-[(Z)-2-(methylideneamino)prop-1-enyl]butan-2-imine
SMILESC=N/C(C)=C\N=C(/C)C(C)(C)C
InChIInChI=1S/C10H18N2/c1-8(11-6)7-12-9(2)10(3,4)5/h7H,6H2,1-5H3/b8-7-,12-9+
InChIKeyWCPFJGSYBIXKIP-HVTAIUIQSA-N
MW166.27 g/mol
LogP3.06
Rot. Bonds2

About 3,3-dimethyl-N-[(Z)-2-(methylideneamino)prop-1-enyl]butan-2-imine

3,3-dimethyl-N-[(Z)-2-(methylideneamino)prop-1-enyl]butan-2-imine (PubChem CID 139505926) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 3,3-dimethyl-N-[(Z)-2-(methylideneamino)prop-1-enyl]butan-2-imine.

Molecular Properties

Compound Name3,3-dimethyl-N-[(Z)-2-(methylideneamino)prop-1-enyl]butan-2-imine
PubChem CID139505926
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name3,3-dimethyl-N-[(Z)-2-(methylideneamino)prop-1-enyl]butan-2-imine
SMILESC=N/C(C)=C\N=C(/C)C(C)(C)C
InChIInChI=1S/C10H18N2/c1-8(11-6)7-12-9(2)10(3,4)5/h7H,6H2,1-5H3/b8-7-,12-9+
InChIKeyWCPFJGSYBIXKIP-HVTAIUIQSA-N
XLogP3.06
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 90709132
CID 90709132
CID 91208482
CID 91208482
CID 126487293
CID 126487293
CID 126590615
CID 126590615
CID 129168703
CID 129168703
CID 138562985
CID 138562985
CID 139359806
CID 139359806
CID 139483770
CID 139483770
CID 139528196
CID 139528196
CID 142544824
CID 142544824
CID 142619246
CID 142619246
CID 142817913
CID 142817913

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[(Z)-2-(methylideneamino)prop-1-enyl]butan-2-imine?
The IUPAC name of 3,3-dimethyl-N-[(Z)-2-(methylideneamino)prop-1-enyl]butan-2-imine (CID 139505926) is 3,3-dimethyl-N-[(Z)-2-(methylideneamino)prop-1-enyl]butan-2-imine.
What is the SMILES notation for 3,3-dimethyl-N-[(Z)-2-(methylideneamino)prop-1-enyl]butan-2-imine?
The canonical SMILES for 3,3-dimethyl-N-[(Z)-2-(methylideneamino)prop-1-enyl]butan-2-imine is C=N/C(C)=C\N=C(/C)C(C)(C)C.
What is the InChIKey of 3,3-dimethyl-N-[(Z)-2-(methylideneamino)prop-1-enyl]butan-2-imine?
The InChIKey is WCPFJGSYBIXKIP-HVTAIUIQSA-N. The full InChI is InChI=1S/C10H18N2/c1-8(11-6)7-12-9(2)10(3,4)5/h7H,6H2,1-5H3/b8-7-,12-9+.
What are the key properties of 3,3-dimethyl-N-[(Z)-2-(methylideneamino)prop-1-enyl]butan-2-imine?
3,3-dimethyl-N-[(Z)-2-(methylideneamino)prop-1-enyl]butan-2-imine has a molecular weight of 166.27 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[(Z)-2-(methylideneamino)prop-1-enyl]butan-2-imine is sourced from PubChem (CID 139505926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).