(1Z,3E)-N,N-diethyl-1-pyrrolidin-1-ylpenta-1,3-dien-1-amine

C13H24N2 — CID 12518209

IUPAC(1Z,3E)-N,N-diethyl-1-pyrrolidin-1-ylpenta-1,3-dien-1-amine
SMILESC/C=C/C=C(/N(CC)CC)N1CCCC1
InChIInChI=1S/C13H24N2/c1-4-7-10-13(14(5-2)6-3)15-11-8-9-12-15/h4,7,10H,5-6,8-9,11-12H2,1-3H3/b7-4+,13-10-
InChIKeyILVZJUJWFVPNAJ-AHGNYBSDSA-N
MW208.35 g/mol
LogP2.84
Rot. Bonds5

About (1Z,3E)-N,N-diethyl-1-pyrrolidin-1-ylpenta-1,3-dien-1-amine

(1Z,3E)-N,N-diethyl-1-pyrrolidin-1-ylpenta-1,3-dien-1-amine (PubChem CID 12518209) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is (1Z,3E)-N,N-diethyl-1-pyrrolidin-1-ylpenta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3E)-N,N-diethyl-1-pyrrolidin-1-ylpenta-1,3-dien-1-amine
PubChem CID12518209
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name(1Z,3E)-N,N-diethyl-1-pyrrolidin-1-ylpenta-1,3-dien-1-amine
SMILESC/C=C/C=C(/N(CC)CC)N1CCCC1
InChIInChI=1S/C13H24N2/c1-4-7-10-13(14(5-2)6-3)15-11-8-9-12-15/h4,7,10H,5-6,8-9,11-12H2,1-3H3/b7-4+,13-10-
InChIKeyILVZJUJWFVPNAJ-AHGNYBSDSA-N
XLogP2.84
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)-N,N-diethyl-1-pyrrolidin-1-ylpenta-1,3-dien-1-amine?
The IUPAC name of (1Z,3E)-N,N-diethyl-1-pyrrolidin-1-ylpenta-1,3-dien-1-amine (CID 12518209) is (1Z,3E)-N,N-diethyl-1-pyrrolidin-1-ylpenta-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3E)-N,N-diethyl-1-pyrrolidin-1-ylpenta-1,3-dien-1-amine?
The canonical SMILES for (1Z,3E)-N,N-diethyl-1-pyrrolidin-1-ylpenta-1,3-dien-1-amine is C/C=C/C=C(/N(CC)CC)N1CCCC1.
What is the InChIKey of (1Z,3E)-N,N-diethyl-1-pyrrolidin-1-ylpenta-1,3-dien-1-amine?
The InChIKey is ILVZJUJWFVPNAJ-AHGNYBSDSA-N. The full InChI is InChI=1S/C13H24N2/c1-4-7-10-13(14(5-2)6-3)15-11-8-9-12-15/h4,7,10H,5-6,8-9,11-12H2,1-3H3/b7-4+,13-10-.
What are the key properties of (1Z,3E)-N,N-diethyl-1-pyrrolidin-1-ylpenta-1,3-dien-1-amine?
(1Z,3E)-N,N-diethyl-1-pyrrolidin-1-ylpenta-1,3-dien-1-amine has a molecular weight of 208.35 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-N,N-diethyl-1-pyrrolidin-1-ylpenta-1,3-dien-1-amine is sourced from PubChem (CID 12518209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).