(1Z)-5-(3-fluoropyrrolidin-1-yl)-2-methanimidoylhexa-1,5-dien-1-amine

C11H18FN3 — CID 165140410

IUPAC(1Z)-5-(3-fluoropyrrolidin-1-yl)-2-methanimidoylhexa-1,5-dien-1-amine
SMILES[H]/N=C/C(=C\N)CCC(=C)N1CCC(F)C1
InChIInChI=1S/C11H18FN3/c1-9(2-3-10(6-13)7-14)15-5-4-11(12)8-15/h6-7,11,13H,1-5,8,14H2/b10-7-,13-6+
InChIKeyICKBUQCQFLRFQV-SMWMWWBHSA-N
MW211.28 g/mol
LogP1.82
Rot. Bonds5

About (1Z)-5-(3-fluoropyrrolidin-1-yl)-2-methanimidoylhexa-1,5-dien-1-amine

(1Z)-5-(3-fluoropyrrolidin-1-yl)-2-methanimidoylhexa-1,5-dien-1-amine (PubChem CID 165140410) has the molecular formula C11H18FN3 and a molecular weight of 211.28 g/mol. Its IUPAC name is (1Z)-5-(3-fluoropyrrolidin-1-yl)-2-methanimidoylhexa-1,5-dien-1-amine.

Molecular Properties

Compound Name(1Z)-5-(3-fluoropyrrolidin-1-yl)-2-methanimidoylhexa-1,5-dien-1-amine
PubChem CID165140410
Molecular FormulaC11H18FN3
Molecular Weight211.28 g/mol
Exact Mass211.15
IUPAC Name(1Z)-5-(3-fluoropyrrolidin-1-yl)-2-methanimidoylhexa-1,5-dien-1-amine
SMILES[H]/N=C/C(=C\N)CCC(=C)N1CCC(F)C1
InChIInChI=1S/C11H18FN3/c1-9(2-3-10(6-13)7-14)15-5-4-11(12)8-15/h6-7,11,13H,1-5,8,14H2/b10-7-,13-6+
InChIKeyICKBUQCQFLRFQV-SMWMWWBHSA-N
XLogP1.82
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-fluoropyrrolidine-1-carboximidamide
CID 129494117
1-[4-(3-fluoropyrrolidin-1-yl)pent-4-enyl]imidazole
CID 165138765
4-amino-1-(3-fluoropyrrolidin-1-yl)butan-1-one
CID 83854045
3-fluoropyrrolidine-1-carboxylic acid
CID 21071719
1-(7-aminohept-1-en-2-yl)pyrrolidin-3-ol
CID 167214817
N-ethenyl-1-[(3R)-3-fluoropyrrolidin-1-yl]ethanimine
CID 166807753
3-fluoropyrrolidine-1-carbohydrazide
CID 155317183
bismuthane;(3S)-3-fluoropyrrolidine-1-carbodithioic acid
CID 174724747
3-fluoropyrrolidine-1-carbonyl chloride
CID 175546868
3-(2-aminopropyl)pyrrolidine-1-carboximidamide
CID 21018796
1-hept-1-en-2-yl-3-methylpyrrolidine
CID 89279754
ethane;(4Z)-4-methanimidoyl-1-(4-methylpiperazin-1-yl)hepta-4,6-dien-1-one
CID 143240409

Frequently Asked Questions

What is the IUPAC name of (1Z)-5-(3-fluoropyrrolidin-1-yl)-2-methanimidoylhexa-1,5-dien-1-amine?
The IUPAC name of (1Z)-5-(3-fluoropyrrolidin-1-yl)-2-methanimidoylhexa-1,5-dien-1-amine (CID 165140410) is (1Z)-5-(3-fluoropyrrolidin-1-yl)-2-methanimidoylhexa-1,5-dien-1-amine.
What is the SMILES notation for (1Z)-5-(3-fluoropyrrolidin-1-yl)-2-methanimidoylhexa-1,5-dien-1-amine?
The canonical SMILES for (1Z)-5-(3-fluoropyrrolidin-1-yl)-2-methanimidoylhexa-1,5-dien-1-amine is [H]/N=C/C(=C\N)CCC(=C)N1CCC(F)C1.
What is the InChIKey of (1Z)-5-(3-fluoropyrrolidin-1-yl)-2-methanimidoylhexa-1,5-dien-1-amine?
The InChIKey is ICKBUQCQFLRFQV-SMWMWWBHSA-N. The full InChI is InChI=1S/C11H18FN3/c1-9(2-3-10(6-13)7-14)15-5-4-11(12)8-15/h6-7,11,13H,1-5,8,14H2/b10-7-,13-6+.
What are the key properties of (1Z)-5-(3-fluoropyrrolidin-1-yl)-2-methanimidoylhexa-1,5-dien-1-amine?
(1Z)-5-(3-fluoropyrrolidin-1-yl)-2-methanimidoylhexa-1,5-dien-1-amine has a molecular weight of 211.28 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-5-(3-fluoropyrrolidin-1-yl)-2-methanimidoylhexa-1,5-dien-1-amine is sourced from PubChem (CID 165140410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).