N-(3-methylbut-1-en-2-yl)-2-methylidenepentan-1-imine

C11H19N — CID 91297021

IUPACN-(3-methylbut-1-en-2-yl)-2-methylidenepentan-1-imine
SMILESC=C(/C=N/C(=C)C(C)C)CCC
InChIInChI=1S/C11H19N/c1-6-7-10(4)8-12-11(5)9(2)3/h8-9H,4-7H2,1-3H3/b12-8+
InChIKeyFTPWWMWTYZJTMG-XYOKQWHBSA-N
MW165.28 g/mol
LogP3.58
Rot. Bonds5

About N-(3-methylbut-1-en-2-yl)-2-methylidenepentan-1-imine

N-(3-methylbut-1-en-2-yl)-2-methylidenepentan-1-imine (PubChem CID 91297021) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N-(3-methylbut-1-en-2-yl)-2-methylidenepentan-1-imine.

Molecular Properties

Compound NameN-(3-methylbut-1-en-2-yl)-2-methylidenepentan-1-imine
PubChem CID91297021
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN-(3-methylbut-1-en-2-yl)-2-methylidenepentan-1-imine
SMILESC=C(/C=N/C(=C)C(C)C)CCC
InChIInChI=1S/C11H19N/c1-6-7-10(4)8-12-11(5)9(2)3/h8-9H,4-7H2,1-3H3/b12-8+
InChIKeyFTPWWMWTYZJTMG-XYOKQWHBSA-N
XLogP3.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.58
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

(Z)-N-but-1-en-2-yl-2-methylbut-2-en-1-imine
CID 89953286
N-(4,4-dimethylpent-1-en-2-yl)-3-methyl-2-methylidenebutan-1-imine
CID 90884825
N-but-1-en-2-yl-2-methylidenepentan-1-imine
CID 90997151
N-but-1-en-2-yl-3-methyl-2-methylidenebutan-1-imine
CID 90998038
2-methylidene-N-prop-1-en-2-ylbutan-1-imine
CID 91031927
N-(3-methylbut-1-en-2-yl)-2-methylidenebutan-1-imine
CID 91047286
3-methyl-2-methylidene-N-(3-methylpent-1-en-2-yl)butan-1-imine
CID 91075817
2-methyl-N-(4-methylpent-2-en-3-yl)prop-2-en-1-imine
CID 91277402
3-methyl-N-(4-methylhex-1-en-2-yl)-2-methylidenebutan-1-imine
CID 91286246
2-methylidene-N-pent-1-en-2-ylbutan-1-imine
CID 91303022
3-methyl-2-methylidene-N-prop-1-en-2-ylbutan-1-imine
CID 91513493
2-methyl-N-pent-1-en-2-ylprop-2-en-1-imine
CID 91565895

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbut-1-en-2-yl)-2-methylidenepentan-1-imine?
The IUPAC name of N-(3-methylbut-1-en-2-yl)-2-methylidenepentan-1-imine (CID 91297021) is N-(3-methylbut-1-en-2-yl)-2-methylidenepentan-1-imine.
What is the SMILES notation for N-(3-methylbut-1-en-2-yl)-2-methylidenepentan-1-imine?
The canonical SMILES for N-(3-methylbut-1-en-2-yl)-2-methylidenepentan-1-imine is C=C(/C=N/C(=C)C(C)C)CCC.
What is the InChIKey of N-(3-methylbut-1-en-2-yl)-2-methylidenepentan-1-imine?
The InChIKey is FTPWWMWTYZJTMG-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H19N/c1-6-7-10(4)8-12-11(5)9(2)3/h8-9H,4-7H2,1-3H3/b12-8+.
What are the key properties of N-(3-methylbut-1-en-2-yl)-2-methylidenepentan-1-imine?
N-(3-methylbut-1-en-2-yl)-2-methylidenepentan-1-imine has a molecular weight of 165.28 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbut-1-en-2-yl)-2-methylidenepentan-1-imine is sourced from PubChem (CID 91297021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).