(4E)-4-fluoro-N-methyl-3-propan-2-ylidenehexa-1,4-dien-2-amine

C10H16FN — CID 134254189

IUPAC(4E)-4-fluoro-N-methyl-3-propan-2-ylidenehexa-1,4-dien-2-amine
SMILESC=C(NC)C(=C(C)C)/C(F)=C\C
InChIInChI=1S/C10H16FN/c1-6-9(11)10(7(2)3)8(4)12-5/h6,12H,4H2,1-3,5H3/b9-6+
InChIKeyGCRMPMXHKGWIQR-RMKNXTFCSA-N
MW169.24 g/mol
LogP2.93
Rot. Bonds3

About (4E)-4-fluoro-N-methyl-3-propan-2-ylidenehexa-1,4-dien-2-amine

(4E)-4-fluoro-N-methyl-3-propan-2-ylidenehexa-1,4-dien-2-amine (PubChem CID 134254189) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is (4E)-4-fluoro-N-methyl-3-propan-2-ylidenehexa-1,4-dien-2-amine.

Molecular Properties

Compound Name(4E)-4-fluoro-N-methyl-3-propan-2-ylidenehexa-1,4-dien-2-amine
PubChem CID134254189
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name(4E)-4-fluoro-N-methyl-3-propan-2-ylidenehexa-1,4-dien-2-amine
SMILESC=C(NC)C(=C(C)C)/C(F)=C\C
InChIInChI=1S/C10H16FN/c1-6-9(11)10(7(2)3)8(4)12-5/h6,12H,4H2,1-3,5H3/b9-6+
InChIKeyGCRMPMXHKGWIQR-RMKNXTFCSA-N
XLogP2.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3E,5Z)-N-methyl-7-(trifluoromethyl)octa-3,5,7-trien-4-amine
CID 89073825
1-[(5Z,6Z)-5-ethylidene-4-fluoro-6-(3-methylbut-2-enylidene)cyclohexa-1,3-dien-1-yl]-N-methylethenamine
CID 89179384
6-(1,1-Difluoroethyl)-3-methyl-1,2-dihydropyridine
CID 122429849
2-ethylidene-3-(1-fluoropropylidene)-1H-pyrrole
CID 123276003
2-ethylidene-3-(1-fluoroethylidene)-1H-pyrrole
CID 123394351
3-(1-fluoroethylidene)-2-propylidene-1H-pyrrole
CID 123451091
(2E)-2-(2-fluoroethylidene)-4-methyl-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]pent-3-en-1-amine
CID 134291684
(2E,4E)-5-fluoro-N,3-dimethylhexa-2,4-dien-2-amine
CID 134365643
(3E)-6-fluoro-N,3-dimethylhexa-1,3-dien-2-amine
CID 134405604
(3E)-3-fluoro-N-methylhexa-1,3-dien-2-amine
CID 139341015
(3E,5Z)-5-ethenyl-2-fluoro-N-methylocta-3,5,7-trien-3-amine
CID 139402965
(3E,4Z)-N-butyl-3-ethylidene-6-fluorohepta-1,4,6-trien-2-amine
CID 142066618

Frequently Asked Questions

What is the IUPAC name of (4E)-4-fluoro-N-methyl-3-propan-2-ylidenehexa-1,4-dien-2-amine?
The IUPAC name of (4E)-4-fluoro-N-methyl-3-propan-2-ylidenehexa-1,4-dien-2-amine (CID 134254189) is (4E)-4-fluoro-N-methyl-3-propan-2-ylidenehexa-1,4-dien-2-amine.
What is the SMILES notation for (4E)-4-fluoro-N-methyl-3-propan-2-ylidenehexa-1,4-dien-2-amine?
The canonical SMILES for (4E)-4-fluoro-N-methyl-3-propan-2-ylidenehexa-1,4-dien-2-amine is C=C(NC)C(=C(C)C)/C(F)=C\C.
What is the InChIKey of (4E)-4-fluoro-N-methyl-3-propan-2-ylidenehexa-1,4-dien-2-amine?
The InChIKey is GCRMPMXHKGWIQR-RMKNXTFCSA-N. The full InChI is InChI=1S/C10H16FN/c1-6-9(11)10(7(2)3)8(4)12-5/h6,12H,4H2,1-3,5H3/b9-6+.
What are the key properties of (4E)-4-fluoro-N-methyl-3-propan-2-ylidenehexa-1,4-dien-2-amine?
(4E)-4-fluoro-N-methyl-3-propan-2-ylidenehexa-1,4-dien-2-amine has a molecular weight of 169.24 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-fluoro-N-methyl-3-propan-2-ylidenehexa-1,4-dien-2-amine is sourced from PubChem (CID 134254189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).