N-(6-methylideneoctyl)ethanimine

C11H21N — CID 123581746

IUPACN-(6-methylideneoctyl)ethanimine
SMILESC=C(CC)CCCCC/N=C/C
InChIInChI=1S/C11H21N/c1-4-11(3)9-7-6-8-10-12-5-2/h5H,3-4,6-10H2,1-2H3/b12-5+
InChIKeyKMWZSAYNIHTRSU-LFYBBSHMSA-N
MW167.30 g/mol
LogP3.60
Rot. Bonds7

About N-(6-methylideneoctyl)ethanimine

N-(6-methylideneoctyl)ethanimine (PubChem CID 123581746) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is N-(6-methylideneoctyl)ethanimine.

Molecular Properties

Compound NameN-(6-methylideneoctyl)ethanimine
PubChem CID123581746
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC NameN-(6-methylideneoctyl)ethanimine
SMILESC=C(CC)CCCCC/N=C/C
InChIInChI=1S/C11H21N/c1-4-11(3)9-7-6-8-10-12-5-2/h5H,3-4,6-10H2,1-2H3/b12-5+
InChIKeyKMWZSAYNIHTRSU-LFYBBSHMSA-N
XLogP3.60
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(5-methylidenenonan-4-yl)butan-1-imine
CID 11195157
N-propylidene-(2-ethylhexen-1-yl-amine)
CID 53884118
4-Pentyl-2,3-dihydropyridine
CID 70041347
N-hexyl-3-methylidenepent-4-en-1-imine
CID 87132172
N-[(Z)-2-ethylpent-1-enyl]ethanimine
CID 89306117
N-(6-methyl-5-methylidenehept-6-enyl)methanimine
CID 91160163
N-[(E)-2-methylhex-1-enyl]ethanimine
CID 123416637
N,6-dimethylhept-6-en-1-imine
CID 123689628
N-(3-methylideneoctyl)pentan-2-imine
CID 123823378
N-(6-methylhept-6-en-2-yl)propan-2-imine
CID 123901074
N-(3-methylidenenonan-4-yl)methanimine
CID 130286484
N-butylundec-10-en-1-imine
CID 160817574

Frequently Asked Questions

What is the IUPAC name of N-(6-methylideneoctyl)ethanimine?
The IUPAC name of N-(6-methylideneoctyl)ethanimine (CID 123581746) is N-(6-methylideneoctyl)ethanimine.
What is the SMILES notation for N-(6-methylideneoctyl)ethanimine?
The canonical SMILES for N-(6-methylideneoctyl)ethanimine is C=C(CC)CCCCC/N=C/C.
What is the InChIKey of N-(6-methylideneoctyl)ethanimine?
The InChIKey is KMWZSAYNIHTRSU-LFYBBSHMSA-N. The full InChI is InChI=1S/C11H21N/c1-4-11(3)9-7-6-8-10-12-5-2/h5H,3-4,6-10H2,1-2H3/b12-5+.
What are the key properties of N-(6-methylideneoctyl)ethanimine?
N-(6-methylideneoctyl)ethanimine has a molecular weight of 167.30 g/mol, XLogP of 3.60, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylideneoctyl)ethanimine is sourced from PubChem (CID 123581746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).