(Z)-4-fluoro-N-methyl-1-[3-methyl-4-[(Z)-2-methylpent-3-enyl]-2,5-dihydropyrrol-1-yl]pent-2-en-1-amine

C17H29FN2 — CID 167084224

IUPAC(Z)-4-fluoro-N-methyl-1-[3-methyl-4-[(Z)-2-methylpent-3-enyl]-2,5-dihydropyrrol-1-yl]pent-2-en-1-amine
SMILESC/C=C\C(C)CC1=C(C)CN(C(/C=C\C(C)F)NC)C1
InChIInChI=1S/C17H29FN2/c1-6-7-13(2)10-16-12-20(11-14(16)3)17(19-5)9-8-15(4)18/h6-9,13,15,17,19H,10-12H2,1-5H3/b7-6-,9-8-
InChIKeyQIHVJPGYBOBYKS-JPDBVBESSA-N
MW280.43 g/mol
LogP3.68
Rot. Bonds7

About (Z)-4-fluoro-N-methyl-1-[3-methyl-4-[(Z)-2-methylpent-3-enyl]-2,5-dihydropyrrol-1-yl]pent-2-en-1-amine

(Z)-4-fluoro-N-methyl-1-[3-methyl-4-[(Z)-2-methylpent-3-enyl]-2,5-dihydropyrrol-1-yl]pent-2-en-1-amine (PubChem CID 167084224) has the molecular formula C17H29FN2 and a molecular weight of 280.43 g/mol. Its IUPAC name is (Z)-4-fluoro-N-methyl-1-[3-methyl-4-[(Z)-2-methylpent-3-enyl]-2,5-dihydropyrrol-1-yl]pent-2-en-1-amine.

Molecular Properties

Compound Name(Z)-4-fluoro-N-methyl-1-[3-methyl-4-[(Z)-2-methylpent-3-enyl]-2,5-dihydropyrrol-1-yl]pent-2-en-1-amine
PubChem CID167084224
Molecular FormulaC17H29FN2
Molecular Weight280.43 g/mol
Exact Mass280.23
IUPAC Name(Z)-4-fluoro-N-methyl-1-[3-methyl-4-[(Z)-2-methylpent-3-enyl]-2,5-dihydropyrrol-1-yl]pent-2-en-1-amine
SMILESC/C=C\C(C)CC1=C(C)CN(C(/C=C\C(C)F)NC)C1
InChIInChI=1S/C17H29FN2/c1-6-7-13(2)10-16-12-20(11-14(16)3)17(19-5)9-8-15(4)18/h6-9,13,15,17,19H,10-12H2,1-5H3/b7-6-,9-8-
InChIKeyQIHVJPGYBOBYKS-JPDBVBESSA-N
XLogP3.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.43
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-fluoro-N-methyl-1-[3-methyl-4-[(Z)-2-methylpent-3-enyl]-2,5-dihydropyrrol-1-yl]pent-2-en-1-amine?
The IUPAC name of (Z)-4-fluoro-N-methyl-1-[3-methyl-4-[(Z)-2-methylpent-3-enyl]-2,5-dihydropyrrol-1-yl]pent-2-en-1-amine (CID 167084224) is (Z)-4-fluoro-N-methyl-1-[3-methyl-4-[(Z)-2-methylpent-3-enyl]-2,5-dihydropyrrol-1-yl]pent-2-en-1-amine.
What is the SMILES notation for (Z)-4-fluoro-N-methyl-1-[3-methyl-4-[(Z)-2-methylpent-3-enyl]-2,5-dihydropyrrol-1-yl]pent-2-en-1-amine?
The canonical SMILES for (Z)-4-fluoro-N-methyl-1-[3-methyl-4-[(Z)-2-methylpent-3-enyl]-2,5-dihydropyrrol-1-yl]pent-2-en-1-amine is C/C=C\C(C)CC1=C(C)CN(C(/C=C\C(C)F)NC)C1.
What is the InChIKey of (Z)-4-fluoro-N-methyl-1-[3-methyl-4-[(Z)-2-methylpent-3-enyl]-2,5-dihydropyrrol-1-yl]pent-2-en-1-amine?
The InChIKey is QIHVJPGYBOBYKS-JPDBVBESSA-N. The full InChI is InChI=1S/C17H29FN2/c1-6-7-13(2)10-16-12-20(11-14(16)3)17(19-5)9-8-15(4)18/h6-9,13,15,17,19H,10-12H2,1-5H3/b7-6-,9-8-.
What are the key properties of (Z)-4-fluoro-N-methyl-1-[3-methyl-4-[(Z)-2-methylpent-3-enyl]-2,5-dihydropyrrol-1-yl]pent-2-en-1-amine?
(Z)-4-fluoro-N-methyl-1-[3-methyl-4-[(Z)-2-methylpent-3-enyl]-2,5-dihydropyrrol-1-yl]pent-2-en-1-amine has a molecular weight of 280.43 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-fluoro-N-methyl-1-[3-methyl-4-[(Z)-2-methylpent-3-enyl]-2,5-dihydropyrrol-1-yl]pent-2-en-1-amine is sourced from PubChem (CID 167084224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).