N-[(E)-3,3-dimethyl-2-[(Z)-prop-1-enyl]hex-1-enyl]methanimine

C12H21N — CID 130346378

IUPACN-[(E)-3,3-dimethyl-2-[(Z)-prop-1-enyl]hex-1-enyl]methanimine
SMILESC=N/C=C(\C=C/C)C(C)(C)CCC
InChIInChI=1S/C12H21N/c1-6-8-11(10-13-5)12(3,4)9-7-2/h6,8,10H,5,7,9H2,1-4H3/b8-6-,11-10+
InChIKeyYKLBIRAUKMGDFI-FEVLKHHISA-N
MW179.31 g/mol
LogP3.97
Rot. Bonds5

About N-[(E)-3,3-dimethyl-2-[(Z)-prop-1-enyl]hex-1-enyl]methanimine

N-[(E)-3,3-dimethyl-2-[(Z)-prop-1-enyl]hex-1-enyl]methanimine (PubChem CID 130346378) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is N-[(E)-3,3-dimethyl-2-[(Z)-prop-1-enyl]hex-1-enyl]methanimine.

Molecular Properties

Compound NameN-[(E)-3,3-dimethyl-2-[(Z)-prop-1-enyl]hex-1-enyl]methanimine
PubChem CID130346378
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC NameN-[(E)-3,3-dimethyl-2-[(Z)-prop-1-enyl]hex-1-enyl]methanimine
SMILESC=N/C=C(\C=C/C)C(C)(C)CCC
InChIInChI=1S/C12H21N/c1-6-8-11(10-13-5)12(3,4)9-7-2/h6,8,10H,5,7,9H2,1-4H3/b8-6-,11-10+
InChIKeyYKLBIRAUKMGDFI-FEVLKHHISA-N
XLogP3.97
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-3,3-dimethyl-2-[(Z)-prop-1-enyl]hex-1-enyl]methanimine?
The IUPAC name of N-[(E)-3,3-dimethyl-2-[(Z)-prop-1-enyl]hex-1-enyl]methanimine (CID 130346378) is N-[(E)-3,3-dimethyl-2-[(Z)-prop-1-enyl]hex-1-enyl]methanimine.
What is the SMILES notation for N-[(E)-3,3-dimethyl-2-[(Z)-prop-1-enyl]hex-1-enyl]methanimine?
The canonical SMILES for N-[(E)-3,3-dimethyl-2-[(Z)-prop-1-enyl]hex-1-enyl]methanimine is C=N/C=C(\C=C/C)C(C)(C)CCC.
What is the InChIKey of N-[(E)-3,3-dimethyl-2-[(Z)-prop-1-enyl]hex-1-enyl]methanimine?
The InChIKey is YKLBIRAUKMGDFI-FEVLKHHISA-N. The full InChI is InChI=1S/C12H21N/c1-6-8-11(10-13-5)12(3,4)9-7-2/h6,8,10H,5,7,9H2,1-4H3/b8-6-,11-10+.
What are the key properties of N-[(E)-3,3-dimethyl-2-[(Z)-prop-1-enyl]hex-1-enyl]methanimine?
N-[(E)-3,3-dimethyl-2-[(Z)-prop-1-enyl]hex-1-enyl]methanimine has a molecular weight of 179.31 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3,3-dimethyl-2-[(Z)-prop-1-enyl]hex-1-enyl]methanimine is sourced from PubChem (CID 130346378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).