N,3-diethyl-4-methylhex-2-en-1-imine

C11H21N — CID 123767677

IUPACN,3-diethyl-4-methylhex-2-en-1-imine
SMILESCC/N=C/C=C(CC)C(C)CC
InChIInChI=1S/C11H21N/c1-5-10(4)11(6-2)8-9-12-7-3/h8-10H,5-7H2,1-4H3/b11-8?,12-9+
InChIKeyHNVNOQQSCNERPV-MHHZDMLJSA-N
MW167.30 g/mol
LogP3.46
Rot. Bonds5

About N,3-diethyl-4-methylhex-2-en-1-imine

N,3-diethyl-4-methylhex-2-en-1-imine (PubChem CID 123767677) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is N,3-diethyl-4-methylhex-2-en-1-imine.

Molecular Properties

Compound NameN,3-diethyl-4-methylhex-2-en-1-imine
PubChem CID123767677
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC NameN,3-diethyl-4-methylhex-2-en-1-imine
SMILESCC/N=C/C=C(CC)C(C)CC
InChIInChI=1S/C11H21N/c1-5-10(4)11(6-2)8-9-12-7-3/h8-10H,5-7H2,1-4H3/b11-8?,12-9+
InChIKeyHNVNOQQSCNERPV-MHHZDMLJSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3-Diethyl-2,3-dihydropyridine
CID 53814937
(Z,5S)-N-ethyl-5-fluoro-6-methylhept-2-en-1-imine
CID 129037792
5-[(5-Fluorocyclohepta-2,5-dien-1-yl)methyl]-3-methyl-2,3-dihydropyridine
CID 143931828
(2E)-2-ethylidene-3,3-difluoro-N,4-dimethylhexan-1-imine
CID 166919456
(2Z,6Z)-2-fluoro-5-methyl-6-propyl-4,5-dihydroazocine
CID 173678457
(6S)-8-diazo-2,6-dimethyloct-2-ene
CID 72722697
(E)-N,5-dimethyl-4-propan-2-ylhex-2-en-1-imine
CID 134895402
N-tert-butyl-3,7-dimethyloct-6-en-1-imine
CID 20591843
2,3,4-Trimethyl-2,3-dihydropyridine
CID 53836102
2,6,9,9a-tetrahydro-1H-3-benzazepine
CID 54031920
4-propan-2-yl-3H-pyridin-1-ium
CID 57080011
2,3-Di(propan-2-yl)-2,3-dihydropyridine
CID 59427901

Frequently Asked Questions

What is the IUPAC name of N,3-diethyl-4-methylhex-2-en-1-imine?
The IUPAC name of N,3-diethyl-4-methylhex-2-en-1-imine (CID 123767677) is N,3-diethyl-4-methylhex-2-en-1-imine.
What is the SMILES notation for N,3-diethyl-4-methylhex-2-en-1-imine?
The canonical SMILES for N,3-diethyl-4-methylhex-2-en-1-imine is CC/N=C/C=C(CC)C(C)CC.
What is the InChIKey of N,3-diethyl-4-methylhex-2-en-1-imine?
The InChIKey is HNVNOQQSCNERPV-MHHZDMLJSA-N. The full InChI is InChI=1S/C11H21N/c1-5-10(4)11(6-2)8-9-12-7-3/h8-10H,5-7H2,1-4H3/b11-8?,12-9+.
What are the key properties of N,3-diethyl-4-methylhex-2-en-1-imine?
N,3-diethyl-4-methylhex-2-en-1-imine has a molecular weight of 167.30 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-diethyl-4-methylhex-2-en-1-imine is sourced from PubChem (CID 123767677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).