N,1-dimethyl-2-methylidene-4-propan-2-ylidenepyrrolidin-3-imine

C10H16N2 — CID 178171427

IUPACN,1-dimethyl-2-methylidene-4-propan-2-ylidenepyrrolidin-3-imine
SMILESC=C1/C(=N\C)C(=C(C)C)CN1C
InChIInChI=1S/C10H16N2/c1-7(2)9-6-12(5)8(3)10(9)11-4/h3,6H2,1-2,4-5H3/b11-10+
InChIKeyMMQOJXVENANUCA-ZHACJKMWSA-N
MW164.25 g/mol
LogP1.85
Rot. Bonds

About N,1-dimethyl-2-methylidene-4-propan-2-ylidenepyrrolidin-3-imine

N,1-dimethyl-2-methylidene-4-propan-2-ylidenepyrrolidin-3-imine (PubChem CID 178171427) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is N,1-dimethyl-2-methylidene-4-propan-2-ylidenepyrrolidin-3-imine.

Molecular Properties

Compound NameN,1-dimethyl-2-methylidene-4-propan-2-ylidenepyrrolidin-3-imine
PubChem CID178171427
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC NameN,1-dimethyl-2-methylidene-4-propan-2-ylidenepyrrolidin-3-imine
SMILESC=C1/C(=N\C)C(=C(C)C)CN1C
InChIInChI=1S/C10H16N2/c1-7(2)9-6-12(5)8(3)10(9)11-4/h3,6H2,1-2,4-5H3/b11-10+
InChIKeyMMQOJXVENANUCA-ZHACJKMWSA-N
XLogP1.85
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_ene_A(57)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(4Z)-1-tert-butyl-N-ethenyl-4-ethylidenepyrrolidin-3-imine
CID 132163049
2-Methyl-3-(pyrrolidin-1-ylmethyl)-6,7-dihydroquinoline
CID 174196684
(E)-N,3-dimethyl-4-pyrrolidin-1-ylpent-3-en-2-imine;ethane
CID 178170620
(4E)-4-butan-2-ylidene-1-methyl-N-propylpyrrolidin-3-imine
CID 144192477
(E)-N,3-dimethyl-4-pyrrolidin-1-ylpent-3-en-2-imine
CID 178170621

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-2-methylidene-4-propan-2-ylidenepyrrolidin-3-imine?
The IUPAC name of N,1-dimethyl-2-methylidene-4-propan-2-ylidenepyrrolidin-3-imine (CID 178171427) is N,1-dimethyl-2-methylidene-4-propan-2-ylidenepyrrolidin-3-imine.
What is the SMILES notation for N,1-dimethyl-2-methylidene-4-propan-2-ylidenepyrrolidin-3-imine?
The canonical SMILES for N,1-dimethyl-2-methylidene-4-propan-2-ylidenepyrrolidin-3-imine is C=C1/C(=N\C)C(=C(C)C)CN1C.
What is the InChIKey of N,1-dimethyl-2-methylidene-4-propan-2-ylidenepyrrolidin-3-imine?
The InChIKey is MMQOJXVENANUCA-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H16N2/c1-7(2)9-6-12(5)8(3)10(9)11-4/h3,6H2,1-2,4-5H3/b11-10+.
What are the key properties of N,1-dimethyl-2-methylidene-4-propan-2-ylidenepyrrolidin-3-imine?
N,1-dimethyl-2-methylidene-4-propan-2-ylidenepyrrolidin-3-imine has a molecular weight of 164.25 g/mol, XLogP of 1.85, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-2-methylidene-4-propan-2-ylidenepyrrolidin-3-imine is sourced from PubChem (CID 178171427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).