(E)-2-[(Z)-prop-1-enyl]-N-[1-[1-(3,4,4-trimethylpent-1-en-2-yl)pyrrolidin-2-yl]ethenyl]pent-2-en-1-amine

C22H38N2 — CID 167062767

IUPAC(E)-2-[(Z)-prop-1-enyl]-N-[1-[1-(3,4,4-trimethylpent-1-en-2-yl)pyrrolidin-2-yl]ethenyl]pent-2-en-1-amine
SMILESC=C(NCC(/C=C\C)=C/CC)C1CCCN1C(=C)C(C)C(C)(C)C
InChIInChI=1S/C22H38N2/c1-9-12-20(13-10-2)16-23-18(4)21-14-11-15-24(21)19(5)17(3)22(6,7)8/h9,12-13,17,21,23H,4-5,10-11,14-16H2,1-3,6-8H3/b12-9-,20-13+
InChIKeyAAAWFDWSYPGMDR-DSHLQMHJSA-N
MW330.56 g/mol
LogP5.66
Rot. Bonds8

About (E)-2-[(Z)-prop-1-enyl]-N-[1-[1-(3,4,4-trimethylpent-1-en-2-yl)pyrrolidin-2-yl]ethenyl]pent-2-en-1-amine

(E)-2-[(Z)-prop-1-enyl]-N-[1-[1-(3,4,4-trimethylpent-1-en-2-yl)pyrrolidin-2-yl]ethenyl]pent-2-en-1-amine (PubChem CID 167062767) has the molecular formula C22H38N2 and a molecular weight of 330.56 g/mol. Its IUPAC name is (E)-2-[(Z)-prop-1-enyl]-N-[1-[1-(3,4,4-trimethylpent-1-en-2-yl)pyrrolidin-2-yl]ethenyl]pent-2-en-1-amine.

Molecular Properties

Compound Name(E)-2-[(Z)-prop-1-enyl]-N-[1-[1-(3,4,4-trimethylpent-1-en-2-yl)pyrrolidin-2-yl]ethenyl]pent-2-en-1-amine
PubChem CID167062767
Molecular FormulaC22H38N2
Molecular Weight330.56 g/mol
Exact Mass330.30
IUPAC Name(E)-2-[(Z)-prop-1-enyl]-N-[1-[1-(3,4,4-trimethylpent-1-en-2-yl)pyrrolidin-2-yl]ethenyl]pent-2-en-1-amine
SMILESC=C(NCC(/C=C\C)=C/CC)C1CCCN1C(=C)C(C)C(C)(C)C
InChIInChI=1S/C22H38N2/c1-9-12-20(13-10-2)16-23-18(4)21-14-11-15-24(21)19(5)17(3)22(6,7)8/h9,12-13,17,21,23H,4-5,10-11,14-16H2,1-3,6-8H3/b12-9-,20-13+
InChIKeyAAAWFDWSYPGMDR-DSHLQMHJSA-N
XLogP5.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.56
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-2-[(Z)-prop-1-enyl]-N-[1-[1-(3,4,4-trimethylpent-1-en-2-yl)pyrrolidin-2-yl]ethenyl]pent-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-2-[(Z)-prop-1-enyl]-N-[1-[1-(3,4,4-trimethylpent-1-en-2-yl)pyrrolidin-2-yl]ethenyl]pent-2-en-1-amine?
The IUPAC name of (E)-2-[(Z)-prop-1-enyl]-N-[1-[1-(3,4,4-trimethylpent-1-en-2-yl)pyrrolidin-2-yl]ethenyl]pent-2-en-1-amine (CID 167062767) is (E)-2-[(Z)-prop-1-enyl]-N-[1-[1-(3,4,4-trimethylpent-1-en-2-yl)pyrrolidin-2-yl]ethenyl]pent-2-en-1-amine.
What is the SMILES notation for (E)-2-[(Z)-prop-1-enyl]-N-[1-[1-(3,4,4-trimethylpent-1-en-2-yl)pyrrolidin-2-yl]ethenyl]pent-2-en-1-amine?
The canonical SMILES for (E)-2-[(Z)-prop-1-enyl]-N-[1-[1-(3,4,4-trimethylpent-1-en-2-yl)pyrrolidin-2-yl]ethenyl]pent-2-en-1-amine is C=C(NCC(/C=C\C)=C/CC)C1CCCN1C(=C)C(C)C(C)(C)C.
What is the InChIKey of (E)-2-[(Z)-prop-1-enyl]-N-[1-[1-(3,4,4-trimethylpent-1-en-2-yl)pyrrolidin-2-yl]ethenyl]pent-2-en-1-amine?
The InChIKey is AAAWFDWSYPGMDR-DSHLQMHJSA-N. The full InChI is InChI=1S/C22H38N2/c1-9-12-20(13-10-2)16-23-18(4)21-14-11-15-24(21)19(5)17(3)22(6,7)8/h9,12-13,17,21,23H,4-5,10-11,14-16H2,1-3,6-8H3/b12-9-,20-13+.
What are the key properties of (E)-2-[(Z)-prop-1-enyl]-N-[1-[1-(3,4,4-trimethylpent-1-en-2-yl)pyrrolidin-2-yl]ethenyl]pent-2-en-1-amine?
(E)-2-[(Z)-prop-1-enyl]-N-[1-[1-(3,4,4-trimethylpent-1-en-2-yl)pyrrolidin-2-yl]ethenyl]pent-2-en-1-amine has a molecular weight of 330.56 g/mol, XLogP of 5.66, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[(Z)-prop-1-enyl]-N-[1-[1-(3,4,4-trimethylpent-1-en-2-yl)pyrrolidin-2-yl]ethenyl]pent-2-en-1-amine is sourced from PubChem (CID 167062767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).