N-(6-ethyl-6-methyloct-7-en-3-yl)methanimine

C12H23N — CID 123150604

IUPACN-(6-ethyl-6-methyloct-7-en-3-yl)methanimine
SMILESC=CC(C)(CC)CCC(CC)N=C
InChIInChI=1S/C12H23N/c1-6-11(13-5)9-10-12(4,7-2)8-3/h7,11H,2,5-6,8-10H2,1,3-4H3
InChIKeyYULQSILITPQAFB-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.85
Rot. Bonds7

About N-(6-ethyl-6-methyloct-7-en-3-yl)methanimine

N-(6-ethyl-6-methyloct-7-en-3-yl)methanimine (PubChem CID 123150604) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N-(6-ethyl-6-methyloct-7-en-3-yl)methanimine.

Molecular Properties

Compound NameN-(6-ethyl-6-methyloct-7-en-3-yl)methanimine
PubChem CID123150604
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN-(6-ethyl-6-methyloct-7-en-3-yl)methanimine
SMILESC=CC(C)(CC)CCC(CC)N=C
InChIInChI=1S/C12H23N/c1-6-11(13-5)9-10-12(4,7-2)8-3/h7,11H,2,5-6,8-10H2,1,3-4H3
InChIKeyYULQSILITPQAFB-UHFFFAOYSA-N
XLogP3.85
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(6-ethyl-6-methyloct-7-en-3-yl)methanimine?
The IUPAC name of N-(6-ethyl-6-methyloct-7-en-3-yl)methanimine (CID 123150604) is N-(6-ethyl-6-methyloct-7-en-3-yl)methanimine.
What is the SMILES notation for N-(6-ethyl-6-methyloct-7-en-3-yl)methanimine?
The canonical SMILES for N-(6-ethyl-6-methyloct-7-en-3-yl)methanimine is C=CC(C)(CC)CCC(CC)N=C.
What is the InChIKey of N-(6-ethyl-6-methyloct-7-en-3-yl)methanimine?
The InChIKey is YULQSILITPQAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-6-11(13-5)9-10-12(4,7-2)8-3/h7,11H,2,5-6,8-10H2,1,3-4H3.
What are the key properties of N-(6-ethyl-6-methyloct-7-en-3-yl)methanimine?
N-(6-ethyl-6-methyloct-7-en-3-yl)methanimine has a molecular weight of 181.32 g/mol, XLogP of 3.85, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethyl-6-methyloct-7-en-3-yl)methanimine is sourced from PubChem (CID 123150604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).