3-ethyl-N,3,5-trimethyl-4-methylidenehexan-2-imine

C12H23N — CID 123648430

IUPAC3-ethyl-N,3,5-trimethyl-4-methylidenehexan-2-imine
SMILESC=C(C(C)C)C(C)(CC)/C(C)=N/C
InChIInChI=1S/C12H23N/c1-8-12(6,11(5)13-7)10(4)9(2)3/h9H,4,8H2,1-3,5-7H3/b13-11+
InChIKeyKEXTWCQJMDUHJC-ACCUITESSA-N
MW181.32 g/mol
LogP3.71
Rot. Bonds4

About 3-ethyl-N,3,5-trimethyl-4-methylidenehexan-2-imine

3-ethyl-N,3,5-trimethyl-4-methylidenehexan-2-imine (PubChem CID 123648430) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 3-ethyl-N,3,5-trimethyl-4-methylidenehexan-2-imine.

Molecular Properties

Compound Name3-ethyl-N,3,5-trimethyl-4-methylidenehexan-2-imine
PubChem CID123648430
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name3-ethyl-N,3,5-trimethyl-4-methylidenehexan-2-imine
SMILESC=C(C(C)C)C(C)(CC)/C(C)=N/C
InChIInChI=1S/C12H23N/c1-8-12(6,11(5)13-7)10(4)9(2)3/h9H,4,8H2,1-3,5-7H3/b13-11+
InChIKeyKEXTWCQJMDUHJC-ACCUITESSA-N
XLogP3.71
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.71
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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Related Compounds

N,2,2,7-tetramethyloct-6-en-3-imine
CID 58590902
3-ethyl-N,5,6-trimethylhept-6-en-2-imine
CID 89033580
2,5,5-trimethyl-N-(2-methylprop-1-enyl)hex-1-en-3-imine
CID 89034784
N-[(E)-2,4,4-trimethylpent-1-enyl]butan-2-imine
CID 89324734
N,2,5-trimethyl-4-methylidenehexan-3-imine
CID 91017057
N,3,3,5,6-pentamethylhept-6-en-2-imine
CID 123186995
N,3,3,5,5-pentamethylhept-6-en-2-imine
CID 123270736
N,4,5-trimethylhept-5-en-2-imine
CID 123336280
N-ethyl-3,6,7-trimethyloct-7-en-4-imine
CID 123411082
N,3,3,5-tetramethylhex-5-en-1-imine
CID 123418742
N-(2,5-dimethylhex-1-en-3-yl)-4,4-dimethylhexan-2-imine
CID 123459444
N,5,5-trimethyl-4-methylidenehexan-3-imine
CID 123488530

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N,3,5-trimethyl-4-methylidenehexan-2-imine?
The IUPAC name of 3-ethyl-N,3,5-trimethyl-4-methylidenehexan-2-imine (CID 123648430) is 3-ethyl-N,3,5-trimethyl-4-methylidenehexan-2-imine.
What is the SMILES notation for 3-ethyl-N,3,5-trimethyl-4-methylidenehexan-2-imine?
The canonical SMILES for 3-ethyl-N,3,5-trimethyl-4-methylidenehexan-2-imine is C=C(C(C)C)C(C)(CC)/C(C)=N/C.
What is the InChIKey of 3-ethyl-N,3,5-trimethyl-4-methylidenehexan-2-imine?
The InChIKey is KEXTWCQJMDUHJC-ACCUITESSA-N. The full InChI is InChI=1S/C12H23N/c1-8-12(6,11(5)13-7)10(4)9(2)3/h9H,4,8H2,1-3,5-7H3/b13-11+.
What are the key properties of 3-ethyl-N,3,5-trimethyl-4-methylidenehexan-2-imine?
3-ethyl-N,3,5-trimethyl-4-methylidenehexan-2-imine has a molecular weight of 181.32 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N,3,5-trimethyl-4-methylidenehexan-2-imine is sourced from PubChem (CID 123648430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).