(Z,4E)-4-ethylidene-1-fluoro-3-methoxy-7-pyrrolidin-1-yloct-5-en-2-amine

C15H27FN2O — CID 143418446

IUPAC(Z,4E)-4-ethylidene-1-fluoro-3-methoxy-7-pyrrolidin-1-yloct-5-en-2-amine
SMILESC/C=C(\C=C/C(C)N1CCCC1)C(OC)C(N)CF
InChIInChI=1S/C15H27FN2O/c1-4-13(15(19-3)14(17)11-16)8-7-12(2)18-9-5-6-10-18/h4,7-8,12,14-15H,5-6,9-11,17H2,1-3H3/b8-7-,13-4+
InChIKeyDCWHCZHVMSJRLP-MUMAOQJLSA-N
MW270.39 g/mol
LogP2.29
Rot. Bonds7

About (Z,4E)-4-ethylidene-1-fluoro-3-methoxy-7-pyrrolidin-1-yloct-5-en-2-amine

(Z,4E)-4-ethylidene-1-fluoro-3-methoxy-7-pyrrolidin-1-yloct-5-en-2-amine (PubChem CID 143418446) has the molecular formula C15H27FN2O and a molecular weight of 270.39 g/mol. Its IUPAC name is (Z,4E)-4-ethylidene-1-fluoro-3-methoxy-7-pyrrolidin-1-yloct-5-en-2-amine.

Molecular Properties

Compound Name(Z,4E)-4-ethylidene-1-fluoro-3-methoxy-7-pyrrolidin-1-yloct-5-en-2-amine
PubChem CID143418446
Molecular FormulaC15H27FN2O
Molecular Weight270.39 g/mol
Exact Mass270.21
IUPAC Name(Z,4E)-4-ethylidene-1-fluoro-3-methoxy-7-pyrrolidin-1-yloct-5-en-2-amine
SMILESC/C=C(\C=C/C(C)N1CCCC1)C(OC)C(N)CF
InChIInChI=1S/C15H27FN2O/c1-4-13(15(19-3)14(17)11-16)8-7-12(2)18-9-5-6-10-18/h4,7-8,12,14-15H,5-6,9-11,17H2,1-3H3/b8-7-,13-4+
InChIKeyDCWHCZHVMSJRLP-MUMAOQJLSA-N
XLogP2.29
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.39
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E,4R)-4-pyrrolidin-1-ylpent-2-enoic acid
CID 177230403
1-[(3E,5Z)-5-bromohepta-3,5-dien-2-yl]piperidine
CID 121012189
1-[(3Z)-5-methylhexa-3,5-dien-2-yl]piperidine;propane
CID 142206747
(E)-5-(azetidin-1-yl)hex-3-en-2-one
CID 172576962
(4E)-4-[(Z)-3-cyclopentylsulfanylprop-1-enyl]-1-fluoro-3-methoxyhepta-4,6-dien-2-amine
CID 129313547
1-(4-methylpent-3-en-2-yl)piperidine
CID 134268073
3-(azacyclotridec-1-yl)but-1-enyl-dipropylsilane
CID 173071742
2-(azepan-1-yl)pentan-3-amine
CID 16789073
2-methyl-1-piperidin-1-ylbutan-1-amine
CID 54574493
methoxy(piperidin-1-yl)methanol
CID 90453688
methyl 3-methyl-2-pyrrolidin-1-ylbutanoate
CID 43866498
propan-2-amine;1-propan-2-ylpiperidine
CID 142245197

Frequently Asked Questions

What is the IUPAC name of (Z,4E)-4-ethylidene-1-fluoro-3-methoxy-7-pyrrolidin-1-yloct-5-en-2-amine?
The IUPAC name of (Z,4E)-4-ethylidene-1-fluoro-3-methoxy-7-pyrrolidin-1-yloct-5-en-2-amine (CID 143418446) is (Z,4E)-4-ethylidene-1-fluoro-3-methoxy-7-pyrrolidin-1-yloct-5-en-2-amine.
What is the SMILES notation for (Z,4E)-4-ethylidene-1-fluoro-3-methoxy-7-pyrrolidin-1-yloct-5-en-2-amine?
The canonical SMILES for (Z,4E)-4-ethylidene-1-fluoro-3-methoxy-7-pyrrolidin-1-yloct-5-en-2-amine is C/C=C(\C=C/C(C)N1CCCC1)C(OC)C(N)CF.
What is the InChIKey of (Z,4E)-4-ethylidene-1-fluoro-3-methoxy-7-pyrrolidin-1-yloct-5-en-2-amine?
The InChIKey is DCWHCZHVMSJRLP-MUMAOQJLSA-N. The full InChI is InChI=1S/C15H27FN2O/c1-4-13(15(19-3)14(17)11-16)8-7-12(2)18-9-5-6-10-18/h4,7-8,12,14-15H,5-6,9-11,17H2,1-3H3/b8-7-,13-4+.
What are the key properties of (Z,4E)-4-ethylidene-1-fluoro-3-methoxy-7-pyrrolidin-1-yloct-5-en-2-amine?
(Z,4E)-4-ethylidene-1-fluoro-3-methoxy-7-pyrrolidin-1-yloct-5-en-2-amine has a molecular weight of 270.39 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4E)-4-ethylidene-1-fluoro-3-methoxy-7-pyrrolidin-1-yloct-5-en-2-amine is sourced from PubChem (CID 143418446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).