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

C13H27N — CID 142258401

IUPACN-[(Z)-2,7-dimethyloct-3-en-3-yl]methanimine;ethane
SMILESC=N/C(=C\CCC(C)C)C(C)C.CC
InChIInChI=1S/C11H21N.C2H6/c1-9(2)7-6-8-11(12-5)10(3)4;1-2/h8-10H,5-7H2,1-4H3;1-2H3/b11-8-;
InChIKeyKEKIDZQZDZPEQU-MKFZHGHUSA-N
MW197.37 g/mol
LogP4.69
Rot. Bonds5

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

N-[(Z)-2,7-dimethyloct-3-en-3-yl]methanimine;ethane (PubChem CID 142258401) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is N-[(Z)-2,7-dimethyloct-3-en-3-yl]methanimine;ethane.

Molecular Properties

Compound NameN-[(Z)-2,7-dimethyloct-3-en-3-yl]methanimine;ethane
PubChem CID142258401
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC NameN-[(Z)-2,7-dimethyloct-3-en-3-yl]methanimine;ethane
SMILESC=N/C(=C\CCC(C)C)C(C)C.CC
InChIInChI=1S/C11H21N.C2H6/c1-9(2)7-6-8-11(12-5)10(3)4;1-2/h8-10H,5-7H2,1-4H3;1-2H3/b11-8-;
InChIKeyKEKIDZQZDZPEQU-MKFZHGHUSA-N
XLogP4.69
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 54.69
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;ethane?
The IUPAC name of N-[(Z)-2,7-dimethyloct-3-en-3-yl]methanimine;ethane (CID 142258401) is N-[(Z)-2,7-dimethyloct-3-en-3-yl]methanimine;ethane.
What is the SMILES notation for N-[(Z)-2,7-dimethyloct-3-en-3-yl]methanimine;ethane?
The canonical SMILES for N-[(Z)-2,7-dimethyloct-3-en-3-yl]methanimine;ethane is C=N/C(=C\CCC(C)C)C(C)C.CC.
What is the InChIKey of N-[(Z)-2,7-dimethyloct-3-en-3-yl]methanimine;ethane?
The InChIKey is KEKIDZQZDZPEQU-MKFZHGHUSA-N. The full InChI is InChI=1S/C11H21N.C2H6/c1-9(2)7-6-8-11(12-5)10(3)4;1-2/h8-10H,5-7H2,1-4H3;1-2H3/b11-8-;.
What are the key properties of N-[(Z)-2,7-dimethyloct-3-en-3-yl]methanimine;ethane?
N-[(Z)-2,7-dimethyloct-3-en-3-yl]methanimine;ethane has a molecular weight of 197.37 g/mol, XLogP of 4.69, 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;ethane is sourced from PubChem (CID 142258401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).