(3Z)-5-fluoro-N-propan-2-ylhexa-1,3,5-trien-2-amine

C9H14FN — CID 142344412

IUPAC(3Z)-5-fluoro-N-propan-2-ylhexa-1,3,5-trien-2-amine
SMILESC=C(F)/C=C\C(=C)NC(C)C
InChIInChI=1S/C9H14FN/c1-7(2)11-9(4)6-5-8(3)10/h5-7,11H,3-4H2,1-2H3/b6-5-
InChIKeyOECABVNNJBHSEA-WAYWQWQTSA-N
MW155.22 g/mol
LogP2.54
Rot. Bonds4

About (3Z)-5-fluoro-N-propan-2-ylhexa-1,3,5-trien-2-amine

(3Z)-5-fluoro-N-propan-2-ylhexa-1,3,5-trien-2-amine (PubChem CID 142344412) has the molecular formula C9H14FN and a molecular weight of 155.22 g/mol. Its IUPAC name is (3Z)-5-fluoro-N-propan-2-ylhexa-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3Z)-5-fluoro-N-propan-2-ylhexa-1,3,5-trien-2-amine
PubChem CID142344412
Molecular FormulaC9H14FN
Molecular Weight155.22 g/mol
Exact Mass155.11
IUPAC Name(3Z)-5-fluoro-N-propan-2-ylhexa-1,3,5-trien-2-amine
SMILESC=C(F)/C=C\C(=C)NC(C)C
InChIInChI=1S/C9H14FN/c1-7(2)11-9(4)6-5-8(3)10/h5-7,11H,3-4H2,1-2H3/b6-5-
InChIKeyOECABVNNJBHSEA-WAYWQWQTSA-N
XLogP2.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

2-(Fluoromethyl)-6-methyl-1,2-dihydropyridine
CID 70459541
(2Z,4E)-5-fluoro-N-methylhexa-2,4-dien-2-amine
CID 89073527
2-Fluoro-6-methyl-1,2-dihydropyridine
CID 90305541
3-Fluoro-6-methyl-1,2-dihydropyridine
CID 118486766
5-Fluoro-6-methyl-1,2-dihydropyridine
CID 121322294
(2Z,4E,6E)-N-ethyl-8,8,8-trifluoro-7-methylocta-2,4,6-trien-4-amine
CID 126548953
(2E)-4-fluoro-N-methylpenta-2,4-dien-2-amine
CID 130428227
(2E,4Z)-6-fluoro-N-prop-1-en-2-ylhepta-2,4,6-trien-3-amine
CID 132129417
7-ethenyl-3-fluoro-2-methyl-1H-azepine
CID 132179929
5-fluoro-N-methylcyclohepta-1,2,4,6-tetraen-1-amine
CID 134424612
(2E,4E)-6-fluoro-N,5-dimethylhexa-2,4-dien-3-amine
CID 134570347
(3E)-3-fluoro-N-propan-2-ylpenta-1,3-dien-2-amine
CID 135302027

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-fluoro-N-propan-2-ylhexa-1,3,5-trien-2-amine?
The IUPAC name of (3Z)-5-fluoro-N-propan-2-ylhexa-1,3,5-trien-2-amine (CID 142344412) is (3Z)-5-fluoro-N-propan-2-ylhexa-1,3,5-trien-2-amine.
What is the SMILES notation for (3Z)-5-fluoro-N-propan-2-ylhexa-1,3,5-trien-2-amine?
The canonical SMILES for (3Z)-5-fluoro-N-propan-2-ylhexa-1,3,5-trien-2-amine is C=C(F)/C=C\C(=C)NC(C)C.
What is the InChIKey of (3Z)-5-fluoro-N-propan-2-ylhexa-1,3,5-trien-2-amine?
The InChIKey is OECABVNNJBHSEA-WAYWQWQTSA-N. The full InChI is InChI=1S/C9H14FN/c1-7(2)11-9(4)6-5-8(3)10/h5-7,11H,3-4H2,1-2H3/b6-5-.
What are the key properties of (3Z)-5-fluoro-N-propan-2-ylhexa-1,3,5-trien-2-amine?
(3Z)-5-fluoro-N-propan-2-ylhexa-1,3,5-trien-2-amine has a molecular weight of 155.22 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-fluoro-N-propan-2-ylhexa-1,3,5-trien-2-amine is sourced from PubChem (CID 142344412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).