(E)-N-[(1Z)-buta-1,3-dienyl]-4-methyl-1-pyrrolidin-1-ylpent-1-en-3-imine

C14H22N2 — CID 170342400

IUPAC(E)-N-[(1Z)-buta-1,3-dienyl]-4-methyl-1-pyrrolidin-1-ylpent-1-en-3-imine
SMILESC=C/C=C\N=C(\C=C\N1CCCC1)C(C)C
InChIInChI=1S/C14H22N2/c1-4-5-9-15-14(13(2)3)8-12-16-10-6-7-11-16/h4-5,8-9,12-13H,1,6-7,10-11H2,2-3H3/b9-5-,12-8+,15-14-
InChIKeyUULKCQFFTWXIPV-COLXWUHQSA-N
MW218.34 g/mol
LogP3.39
Rot. Bonds5

About (E)-N-[(1Z)-buta-1,3-dienyl]-4-methyl-1-pyrrolidin-1-ylpent-1-en-3-imine

(E)-N-[(1Z)-buta-1,3-dienyl]-4-methyl-1-pyrrolidin-1-ylpent-1-en-3-imine (PubChem CID 170342400) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is (E)-N-[(1Z)-buta-1,3-dienyl]-4-methyl-1-pyrrolidin-1-ylpent-1-en-3-imine.

Molecular Properties

Compound Name(E)-N-[(1Z)-buta-1,3-dienyl]-4-methyl-1-pyrrolidin-1-ylpent-1-en-3-imine
PubChem CID170342400
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name(E)-N-[(1Z)-buta-1,3-dienyl]-4-methyl-1-pyrrolidin-1-ylpent-1-en-3-imine
SMILESC=C/C=C\N=C(\C=C\N1CCCC1)C(C)C
InChIInChI=1S/C14H22N2/c1-4-5-9-15-14(13(2)3)8-12-16-10-6-7-11-16/h4-5,8-9,12-13H,1,6-7,10-11H2,2-3H3/b9-5-,12-8+,15-14-
InChIKeyUULKCQFFTWXIPV-COLXWUHQSA-N
XLogP3.39
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N,2-trimethyl-5-(propan-2-ylideneamino)pent-4-en-1-amine
CID 123324348
N-[(1E)-2-[[(3S)-3-methylpyrrolidin-1-yl]methyl]buta-1,3-dienyl]propan-2-imine
CID 135162573
N,3-dimethyl-N-[(Z)-3-methyliminobut-1-enyl]pyrrolidin-1-amine
CID 142127057
ethane;1-methyl-4-methylidene-N-[(Z)-prop-1-enyl]pyrrolidin-3-imine
CID 143154277
1-methyl-4-methylidene-N-[(Z)-prop-1-enyl]pyrrolidin-3-imine
CID 143154278
(E)-3-[(1Z)-buta-1,3-dienyl]imino-N,N,4-trimethylpent-1-en-1-amine
CID 170342457
3-ethenyl-1-[4-(3-ethenyl-2-methyl-3H-pyrrol-1-ium-1-yl)butyl]-2-methyl-3H-pyrrol-1-ium
CID 171628731
3-Ethyl-5-pyrrolidin-1-ylpent-4-en-2-imine
CID 174576023

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1Z)-buta-1,3-dienyl]-4-methyl-1-pyrrolidin-1-ylpent-1-en-3-imine?
The IUPAC name of (E)-N-[(1Z)-buta-1,3-dienyl]-4-methyl-1-pyrrolidin-1-ylpent-1-en-3-imine (CID 170342400) is (E)-N-[(1Z)-buta-1,3-dienyl]-4-methyl-1-pyrrolidin-1-ylpent-1-en-3-imine.
What is the SMILES notation for (E)-N-[(1Z)-buta-1,3-dienyl]-4-methyl-1-pyrrolidin-1-ylpent-1-en-3-imine?
The canonical SMILES for (E)-N-[(1Z)-buta-1,3-dienyl]-4-methyl-1-pyrrolidin-1-ylpent-1-en-3-imine is C=C/C=C\N=C(\C=C\N1CCCC1)C(C)C.
What is the InChIKey of (E)-N-[(1Z)-buta-1,3-dienyl]-4-methyl-1-pyrrolidin-1-ylpent-1-en-3-imine?
The InChIKey is UULKCQFFTWXIPV-COLXWUHQSA-N. The full InChI is InChI=1S/C14H22N2/c1-4-5-9-15-14(13(2)3)8-12-16-10-6-7-11-16/h4-5,8-9,12-13H,1,6-7,10-11H2,2-3H3/b9-5-,12-8+,15-14-.
What are the key properties of (E)-N-[(1Z)-buta-1,3-dienyl]-4-methyl-1-pyrrolidin-1-ylpent-1-en-3-imine?
(E)-N-[(1Z)-buta-1,3-dienyl]-4-methyl-1-pyrrolidin-1-ylpent-1-en-3-imine has a molecular weight of 218.34 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1Z)-buta-1,3-dienyl]-4-methyl-1-pyrrolidin-1-ylpent-1-en-3-imine is sourced from PubChem (CID 170342400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).