(1Z,3E)-3-pyrrolidin-1-yl-5-[[(2S)-pyrrolidin-2-yl]methyl]hexa-1,3,5-trien-1-amine

C15H25N3 — CID 89298699

IUPAC(1Z,3E)-3-pyrrolidin-1-yl-5-[[(2S)-pyrrolidin-2-yl]methyl]hexa-1,3,5-trien-1-amine
SMILESC=C(/C=C(\C=C/N)N1CCCC1)C[C@@H]1CCCN1
InChIInChI=1S/C15H25N3/c1-13(11-14-5-4-8-17-14)12-15(6-7-16)18-9-2-3-10-18/h6-7,12,14,17H,1-5,8-11,16H2/b7-6-,15-12+/t14-/m0/s1
InChIKeyLZEPUCBZAZVSDN-UITDGTBMSA-N
MW247.39 g/mol
LogP2.14
Rot. Bonds5

About (1Z,3E)-3-pyrrolidin-1-yl-5-[[(2S)-pyrrolidin-2-yl]methyl]hexa-1,3,5-trien-1-amine

(1Z,3E)-3-pyrrolidin-1-yl-5-[[(2S)-pyrrolidin-2-yl]methyl]hexa-1,3,5-trien-1-amine (PubChem CID 89298699) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is (1Z,3E)-3-pyrrolidin-1-yl-5-[[(2S)-pyrrolidin-2-yl]methyl]hexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1Z,3E)-3-pyrrolidin-1-yl-5-[[(2S)-pyrrolidin-2-yl]methyl]hexa-1,3,5-trien-1-amine
PubChem CID89298699
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name(1Z,3E)-3-pyrrolidin-1-yl-5-[[(2S)-pyrrolidin-2-yl]methyl]hexa-1,3,5-trien-1-amine
SMILESC=C(/C=C(\C=C/N)N1CCCC1)C[C@@H]1CCCN1
InChIInChI=1S/C15H25N3/c1-13(11-14-5-4-8-17-14)12-15(6-7-16)18-9-2-3-10-18/h6-7,12,14,17H,1-5,8-11,16H2/b7-6-,15-12+/t14-/m0/s1
InChIKeyLZEPUCBZAZVSDN-UITDGTBMSA-N
XLogP2.14
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z,3E)-3-pyrrolidin-1-yl-5-[[(2S)-pyrrolidin-2-yl]methyl]hexa-1,3,5-trien-1-amine?
The IUPAC name of (1Z,3E)-3-pyrrolidin-1-yl-5-[[(2S)-pyrrolidin-2-yl]methyl]hexa-1,3,5-trien-1-amine (CID 89298699) is (1Z,3E)-3-pyrrolidin-1-yl-5-[[(2S)-pyrrolidin-2-yl]methyl]hexa-1,3,5-trien-1-amine.
What is the SMILES notation for (1Z,3E)-3-pyrrolidin-1-yl-5-[[(2S)-pyrrolidin-2-yl]methyl]hexa-1,3,5-trien-1-amine?
The canonical SMILES for (1Z,3E)-3-pyrrolidin-1-yl-5-[[(2S)-pyrrolidin-2-yl]methyl]hexa-1,3,5-trien-1-amine is C=C(/C=C(\C=C/N)N1CCCC1)C[C@@H]1CCCN1.
What is the InChIKey of (1Z,3E)-3-pyrrolidin-1-yl-5-[[(2S)-pyrrolidin-2-yl]methyl]hexa-1,3,5-trien-1-amine?
The InChIKey is LZEPUCBZAZVSDN-UITDGTBMSA-N. The full InChI is InChI=1S/C15H25N3/c1-13(11-14-5-4-8-17-14)12-15(6-7-16)18-9-2-3-10-18/h6-7,12,14,17H,1-5,8-11,16H2/b7-6-,15-12+/t14-/m0/s1.
What are the key properties of (1Z,3E)-3-pyrrolidin-1-yl-5-[[(2S)-pyrrolidin-2-yl]methyl]hexa-1,3,5-trien-1-amine?
(1Z,3E)-3-pyrrolidin-1-yl-5-[[(2S)-pyrrolidin-2-yl]methyl]hexa-1,3,5-trien-1-amine has a molecular weight of 247.39 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-3-pyrrolidin-1-yl-5-[[(2S)-pyrrolidin-2-yl]methyl]hexa-1,3,5-trien-1-amine is sourced from PubChem (CID 89298699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).