2-methyl-N-(2-methylhex-5-en-3-yl)propan-1-imine

C11H21N — CID 11528413

IUPAC2-methyl-N-(2-methylhex-5-en-3-yl)propan-1-imine
SMILESC=CCC(/N=C/C(C)C)C(C)C
InChIInChI=1S/C11H21N/c1-6-7-11(10(4)5)12-8-9(2)3/h6,8-11H,1,7H2,2-5H3/b12-8+
InChIKeyUHTWSVLYBWRLGZ-XYOKQWHBSA-N
MW167.30 g/mol
LogP3.31
Rot. Bonds5

About 2-methyl-N-(2-methylhex-5-en-3-yl)propan-1-imine

2-methyl-N-(2-methylhex-5-en-3-yl)propan-1-imine (PubChem CID 11528413) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 2-methyl-N-(2-methylhex-5-en-3-yl)propan-1-imine.

Molecular Properties

Compound Name2-methyl-N-(2-methylhex-5-en-3-yl)propan-1-imine
PubChem CID11528413
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name2-methyl-N-(2-methylhex-5-en-3-yl)propan-1-imine
SMILESC=CCC(/N=C/C(C)C)C(C)C
InChIInChI=1S/C11H21N/c1-6-7-11(10(4)5)12-8-9(2)3/h6,8-11H,1,7H2,2-5H3/b12-8+
InChIKeyUHTWSVLYBWRLGZ-XYOKQWHBSA-N
XLogP3.31
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 ≤ 53.31
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

2,2-dimethyl-N-propan-2-ylpent-4-en-1-imine
CID 12064035
N-[(E)-5-fluoro-3-methylpent-4-en-2-yl]ethanimine
CID 143818498
5-chloro-2-ethenyl-N-propan-2-ylpentan-1-imine
CID 21627253
(1E)-N-(2-Methylpropyl)pent-4-en-1-imine
CID 13402840
Allyl-(2-methyl-pent-4-enylidene)-amine
CID 13443029
(4Z,8Z)-2-tert-butyl-11-methyl-1-azacyclododeca-4,8,12-triene
CID 20537987
N-pent-4-en-2-ylpropan-1-imine
CID 21051437
(4E,8E)-2-tert-butyl-11-methyl-1-azacyclododeca-4,8,12-triene
CID 22811545
3-Methyl-12-(3-penten-2-yl)-1-aza-1,5,9-cyclododecatriene
CID 54073519
2-Tert-butyl-11-methyl-1-azacyclododeca-4,8,12-triene
CID 57087163
(4E,8E)-11-methyl-2-pent-3-en-2-yl-1-azacyclododeca-4,8,12-triene
CID 70505819
N-tert-butylpent-4-en-1-imine
CID 87184236

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylhex-5-en-3-yl)propan-1-imine?
The IUPAC name of 2-methyl-N-(2-methylhex-5-en-3-yl)propan-1-imine (CID 11528413) is 2-methyl-N-(2-methylhex-5-en-3-yl)propan-1-imine.
What is the SMILES notation for 2-methyl-N-(2-methylhex-5-en-3-yl)propan-1-imine?
The canonical SMILES for 2-methyl-N-(2-methylhex-5-en-3-yl)propan-1-imine is C=CCC(/N=C/C(C)C)C(C)C.
What is the InChIKey of 2-methyl-N-(2-methylhex-5-en-3-yl)propan-1-imine?
The InChIKey is UHTWSVLYBWRLGZ-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H21N/c1-6-7-11(10(4)5)12-8-9(2)3/h6,8-11H,1,7H2,2-5H3/b12-8+.
What are the key properties of 2-methyl-N-(2-methylhex-5-en-3-yl)propan-1-imine?
2-methyl-N-(2-methylhex-5-en-3-yl)propan-1-imine has a molecular weight of 167.30 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylhex-5-en-3-yl)propan-1-imine is sourced from PubChem (CID 11528413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).