(1Z,3Z)-2-[2-(3-fluoropyrrolidin-1-yl)ethyl]-N-methyl-N-propan-2-ylhexa-1,3,5-trien-1-amine

C16H27FN2 — CID 176690640

IUPAC(1Z,3Z)-2-[2-(3-fluoropyrrolidin-1-yl)ethyl]-N-methyl-N-propan-2-ylhexa-1,3,5-trien-1-amine
SMILESC=C/C=C\C(=C/N(C)C(C)C)CCN1CCC(F)C1
InChIInChI=1S/C16H27FN2/c1-5-6-7-15(12-18(4)14(2)3)8-10-19-11-9-16(17)13-19/h5-7,12,14,16H,1,8-11,13H2,2-4H3/b7-6-,15-12+
InChIKeyBVBWNYMENJHHCG-HCVZKXNCSA-N
MW266.40 g/mol
LogP3.39
Rot. Bonds7

About (1Z,3Z)-2-[2-(3-fluoropyrrolidin-1-yl)ethyl]-N-methyl-N-propan-2-ylhexa-1,3,5-trien-1-amine

(1Z,3Z)-2-[2-(3-fluoropyrrolidin-1-yl)ethyl]-N-methyl-N-propan-2-ylhexa-1,3,5-trien-1-amine (PubChem CID 176690640) has the molecular formula C16H27FN2 and a molecular weight of 266.40 g/mol. Its IUPAC name is (1Z,3Z)-2-[2-(3-fluoropyrrolidin-1-yl)ethyl]-N-methyl-N-propan-2-ylhexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-2-[2-(3-fluoropyrrolidin-1-yl)ethyl]-N-methyl-N-propan-2-ylhexa-1,3,5-trien-1-amine
PubChem CID176690640
Molecular FormulaC16H27FN2
Molecular Weight266.40 g/mol
Exact Mass266.22
IUPAC Name(1Z,3Z)-2-[2-(3-fluoropyrrolidin-1-yl)ethyl]-N-methyl-N-propan-2-ylhexa-1,3,5-trien-1-amine
SMILESC=C/C=C\C(=C/N(C)C(C)C)CCN1CCC(F)C1
InChIInChI=1S/C16H27FN2/c1-5-6-7-15(12-18(4)14(2)3)8-10-19-11-9-16(17)13-19/h5-7,12,14,16H,1,8-11,13H2,2-4H3/b7-6-,15-12+
InChIKeyBVBWNYMENJHHCG-HCVZKXNCSA-N
XLogP3.39
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.40
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1Z,3Z)-2-[2-(3-fluoropyrrolidin-1-yl)ethyl]-N-methyl-N-propan-2-ylhexa-1,3,5-trien-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 (1Z,3Z)-2-[2-(3-fluoropyrrolidin-1-yl)ethyl]-N-methyl-N-propan-2-ylhexa-1,3,5-trien-1-amine?
The IUPAC name of (1Z,3Z)-2-[2-(3-fluoropyrrolidin-1-yl)ethyl]-N-methyl-N-propan-2-ylhexa-1,3,5-trien-1-amine (CID 176690640) is (1Z,3Z)-2-[2-(3-fluoropyrrolidin-1-yl)ethyl]-N-methyl-N-propan-2-ylhexa-1,3,5-trien-1-amine.
What is the SMILES notation for (1Z,3Z)-2-[2-(3-fluoropyrrolidin-1-yl)ethyl]-N-methyl-N-propan-2-ylhexa-1,3,5-trien-1-amine?
The canonical SMILES for (1Z,3Z)-2-[2-(3-fluoropyrrolidin-1-yl)ethyl]-N-methyl-N-propan-2-ylhexa-1,3,5-trien-1-amine is C=C/C=C\C(=C/N(C)C(C)C)CCN1CCC(F)C1.
What is the InChIKey of (1Z,3Z)-2-[2-(3-fluoropyrrolidin-1-yl)ethyl]-N-methyl-N-propan-2-ylhexa-1,3,5-trien-1-amine?
The InChIKey is BVBWNYMENJHHCG-HCVZKXNCSA-N. The full InChI is InChI=1S/C16H27FN2/c1-5-6-7-15(12-18(4)14(2)3)8-10-19-11-9-16(17)13-19/h5-7,12,14,16H,1,8-11,13H2,2-4H3/b7-6-,15-12+.
What are the key properties of (1Z,3Z)-2-[2-(3-fluoropyrrolidin-1-yl)ethyl]-N-methyl-N-propan-2-ylhexa-1,3,5-trien-1-amine?
(1Z,3Z)-2-[2-(3-fluoropyrrolidin-1-yl)ethyl]-N-methyl-N-propan-2-ylhexa-1,3,5-trien-1-amine has a molecular weight of 266.40 g/mol, XLogP of 3.39, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-2-[2-(3-fluoropyrrolidin-1-yl)ethyl]-N-methyl-N-propan-2-ylhexa-1,3,5-trien-1-amine is sourced from PubChem (CID 176690640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).