ethene;N-methyl-3-methylidenepentan-2-imine

C9H17N — CID 178053052

IUPACethene;N-methyl-3-methylidenepentan-2-imine
SMILESC=C.C=C(CC)/C(C)=N/C
InChIInChI=1S/C7H13N.C2H4/c1-5-6(2)7(3)8-4;1-2/h2,5H2,1,3-4H3;1-2H2/b8-7+;
InChIKeyLLOFKDSFSNYPNW-USRGLUTNSA-N
MW139.24 g/mol
LogP2.85
Rot. Bonds2

About ethene;N-methyl-3-methylidenepentan-2-imine

ethene;N-methyl-3-methylidenepentan-2-imine (PubChem CID 178053052) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is ethene;N-methyl-3-methylidenepentan-2-imine.

Molecular Properties

Compound Nameethene;N-methyl-3-methylidenepentan-2-imine
PubChem CID178053052
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Nameethene;N-methyl-3-methylidenepentan-2-imine
SMILESC=C.C=C(CC)/C(C)=N/C
InChIInChI=1S/C7H13N.C2H4/c1-5-6(2)7(3)8-4;1-2/h2,5H2,1,3-4H3;1-2H2/b8-7+;
InChIKeyLLOFKDSFSNYPNW-USRGLUTNSA-N
XLogP2.85
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.85
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,3-dimethylbut-3-en-2-imine
CID 58175910
N,4-dimethylpent-4-en-2-imine
CID 58722539
1-(3-Methanidylidenepentan-2-ylideneamino)ethylidenevanadium
CID 59577849
2-methyl-N-(2-methylprop-1-enyl)pent-1-en-3-imine
CID 89034155
N,2-dimethylpent-1-en-3-imine
CID 90982396
(3E,5Z)-8-ethyl-N,3-dimethyldeca-3,5,7-trien-2-imine
CID 90983461
N,4-dimethyl-3-methylidenepent-4-en-2-imine
CID 91061393
N-(3-methylbut-3-enyl)butan-2-imine
CID 91185751
2-methyl-N-propylhex-1-en-3-imine
CID 123390647
N-methyl-3-methylidenepentan-2-imine
CID 123504355
(3E)-N,3-dimethylocta-3,6-dien-2-imine
CID 123506283
2-methyl-N-propylpenta-1,4-dien-3-imine
CID 123640101

Frequently Asked Questions

What is the IUPAC name of ethene;N-methyl-3-methylidenepentan-2-imine?
The IUPAC name of ethene;N-methyl-3-methylidenepentan-2-imine (CID 178053052) is ethene;N-methyl-3-methylidenepentan-2-imine.
What is the SMILES notation for ethene;N-methyl-3-methylidenepentan-2-imine?
The canonical SMILES for ethene;N-methyl-3-methylidenepentan-2-imine is C=C.C=C(CC)/C(C)=N/C.
What is the InChIKey of ethene;N-methyl-3-methylidenepentan-2-imine?
The InChIKey is LLOFKDSFSNYPNW-USRGLUTNSA-N. The full InChI is InChI=1S/C7H13N.C2H4/c1-5-6(2)7(3)8-4;1-2/h2,5H2,1,3-4H3;1-2H2/b8-7+;.
What are the key properties of ethene;N-methyl-3-methylidenepentan-2-imine?
ethene;N-methyl-3-methylidenepentan-2-imine has a molecular weight of 139.24 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;N-methyl-3-methylidenepentan-2-imine is sourced from PubChem (CID 178053052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).