N-[(Z)-2,7-dimethyloct-3-en-3-yl]methanimine

C11H21N — CID 139505611

IUPACN-[(Z)-2,7-dimethyloct-3-en-3-yl]methanimine
SMILESC=N/C(=C\CCC(C)C)C(C)C
InChIInChI=1S/C11H21N/c1-9(2)7-6-8-11(12-5)10(3)4/h8-10H,5-7H2,1-4H3/b11-8-
InChIKeyUFMZZEPZLVSVQD-FLIBITNWSA-N
MW167.30 g/mol
LogP3.66
Rot. Bonds5

About N-[(Z)-2,7-dimethyloct-3-en-3-yl]methanimine

N-[(Z)-2,7-dimethyloct-3-en-3-yl]methanimine (PubChem CID 139505611) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is N-[(Z)-2,7-dimethyloct-3-en-3-yl]methanimine.

Molecular Properties

Compound NameN-[(Z)-2,7-dimethyloct-3-en-3-yl]methanimine
PubChem CID139505611
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC NameN-[(Z)-2,7-dimethyloct-3-en-3-yl]methanimine
SMILESC=N/C(=C\CCC(C)C)C(C)C
InChIInChI=1S/C11H21N/c1-9(2)7-6-8-11(12-5)10(3)4/h8-10H,5-7H2,1-4H3/b11-8-
InChIKeyUFMZZEPZLVSVQD-FLIBITNWSA-N
XLogP3.66
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[(Z)-2,7-dimethyloct-3-en-3-yl]methanimine?
The IUPAC name of N-[(Z)-2,7-dimethyloct-3-en-3-yl]methanimine (CID 139505611) is N-[(Z)-2,7-dimethyloct-3-en-3-yl]methanimine.
What is the SMILES notation for N-[(Z)-2,7-dimethyloct-3-en-3-yl]methanimine?
The canonical SMILES for N-[(Z)-2,7-dimethyloct-3-en-3-yl]methanimine is C=N/C(=C\CCC(C)C)C(C)C.
What is the InChIKey of N-[(Z)-2,7-dimethyloct-3-en-3-yl]methanimine?
The InChIKey is UFMZZEPZLVSVQD-FLIBITNWSA-N. The full InChI is InChI=1S/C11H21N/c1-9(2)7-6-8-11(12-5)10(3)4/h8-10H,5-7H2,1-4H3/b11-8-.
What are the key properties of N-[(Z)-2,7-dimethyloct-3-en-3-yl]methanimine?
N-[(Z)-2,7-dimethyloct-3-en-3-yl]methanimine has a molecular weight of 167.30 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2,7-dimethyloct-3-en-3-yl]methanimine is sourced from PubChem (CID 139505611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).