(Z)-1-(1,4-dimethylpyrrolidin-3-yl)-N-ethylpent-3-en-2-imine

C13H24N2 — CID 146568242

IUPAC(Z)-1-(1,4-dimethylpyrrolidin-3-yl)-N-ethylpent-3-en-2-imine
SMILESC/C=C\C(CC1CN(C)CC1C)=N/CC
InChIInChI=1S/C13H24N2/c1-5-7-13(14-6-2)8-12-10-15(4)9-11(12)3/h5,7,11-12H,6,8-10H2,1-4H3/b7-5-,14-13+
InChIKeyYVFAESGQJQLCIM-JEASJYNGSA-N
MW208.35 g/mol
LogP2.61
Rot. Bonds4

About (Z)-1-(1,4-dimethylpyrrolidin-3-yl)-N-ethylpent-3-en-2-imine

(Z)-1-(1,4-dimethylpyrrolidin-3-yl)-N-ethylpent-3-en-2-imine (PubChem CID 146568242) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is (Z)-1-(1,4-dimethylpyrrolidin-3-yl)-N-ethylpent-3-en-2-imine.

Molecular Properties

Compound Name(Z)-1-(1,4-dimethylpyrrolidin-3-yl)-N-ethylpent-3-en-2-imine
PubChem CID146568242
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name(Z)-1-(1,4-dimethylpyrrolidin-3-yl)-N-ethylpent-3-en-2-imine
SMILESC/C=C\C(CC1CN(C)CC1C)=N/CC
InChIInChI=1S/C13H24N2/c1-5-7-13(14-6-2)8-12-10-15(4)9-11(12)3/h5,7,11-12H,6,8-10H2,1-4H3/b7-5-,14-13+
InChIKeyYVFAESGQJQLCIM-JEASJYNGSA-N
XLogP2.61
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(1,4-dimethylpyrrolidin-3-yl)-N-ethylpent-3-en-2-imine?
The IUPAC name of (Z)-1-(1,4-dimethylpyrrolidin-3-yl)-N-ethylpent-3-en-2-imine (CID 146568242) is (Z)-1-(1,4-dimethylpyrrolidin-3-yl)-N-ethylpent-3-en-2-imine.
What is the SMILES notation for (Z)-1-(1,4-dimethylpyrrolidin-3-yl)-N-ethylpent-3-en-2-imine?
The canonical SMILES for (Z)-1-(1,4-dimethylpyrrolidin-3-yl)-N-ethylpent-3-en-2-imine is C/C=C\C(CC1CN(C)CC1C)=N/CC.
What is the InChIKey of (Z)-1-(1,4-dimethylpyrrolidin-3-yl)-N-ethylpent-3-en-2-imine?
The InChIKey is YVFAESGQJQLCIM-JEASJYNGSA-N. The full InChI is InChI=1S/C13H24N2/c1-5-7-13(14-6-2)8-12-10-15(4)9-11(12)3/h5,7,11-12H,6,8-10H2,1-4H3/b7-5-,14-13+.
What are the key properties of (Z)-1-(1,4-dimethylpyrrolidin-3-yl)-N-ethylpent-3-en-2-imine?
(Z)-1-(1,4-dimethylpyrrolidin-3-yl)-N-ethylpent-3-en-2-imine has a molecular weight of 208.35 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(1,4-dimethylpyrrolidin-3-yl)-N-ethylpent-3-en-2-imine is sourced from PubChem (CID 146568242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).