(3Z)-N-(2-fluoroethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine

C10H16FN — CID 142308912

IUPAC(3Z)-N-(2-fluoroethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine
SMILESC=C(C)/C=C\C(=C)N(C)CCF
InChIInChI=1S/C10H16FN/c1-9(2)5-6-10(3)12(4)8-7-11/h5-6H,1,3,7-8H2,2,4H3/b6-5-
InChIKeyGJLWENTXQPCBSN-WAYWQWQTSA-N
MW169.24 g/mol
LogP2.53
Rot. Bonds5

About (3Z)-N-(2-fluoroethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine

(3Z)-N-(2-fluoroethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine (PubChem CID 142308912) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is (3Z)-N-(2-fluoroethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3Z)-N-(2-fluoroethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine
PubChem CID142308912
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name(3Z)-N-(2-fluoroethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine
SMILESC=C(C)/C=C\C(=C)N(C)CCF
InChIInChI=1S/C10H16FN/c1-9(2)5-6-10(3)12(4)8-7-11/h5-6H,1,3,7-8H2,2,4H3/b6-5-
InChIKeyGJLWENTXQPCBSN-WAYWQWQTSA-N
XLogP2.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(dimethyloctadienyl)diethylamine
CID 129811778
2-Methylidene-1-(2-methylpropyl)-5-(trifluoromethyl)pyridine
CID 67473380
9-(fluoromethyl)-4H-quinolizine
CID 88500987
1-(fluoromethyl)-4H-quinolizine
CID 88500989
(3Z,5E,8Z)-5-fluoro-1,8-dimethyl-2-methylidene-1-azacycloundeca-3,5,8-triene
CID 89299112
(2E)-2-[(Z)-3-fluoroprop-1-enyl]-N,N-dimethylpenta-2,4-dien-1-amine
CID 89502908
N-ethenyl-7-methyl-N-(2,2,2-trifluoroethyl)cyclohepta-1,3,6-trien-1-amine
CID 123191642
N-(1-cyclopropylideneethyl)-N-[2-(2-fluorocyclohexa-1,5-dien-1-yl)ethyl]hexa-2,4-dien-3-amine
CID 123404943
2-N-(2-fluoroethyl)-2-N-hexa-3,5-dien-3-yl-6-N,6-N,3-trimethylhepta-1,3,5-triene-2,6-diamine
CID 123501893
1-Ethyl-2-methylidene-5-(trifluoromethyl)pyridine
CID 123548735
6-(4-fluoropent-2-enylidene)-N,N-dimethylcyclohexa-1,3-dien-1-amine
CID 123629047
1,6-dimethyl-4-(trifluoromethyl)-2H-pyridine
CID 123633847

Frequently Asked Questions

What is the IUPAC name of (3Z)-N-(2-fluoroethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine?
The IUPAC name of (3Z)-N-(2-fluoroethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine (CID 142308912) is (3Z)-N-(2-fluoroethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine.
What is the SMILES notation for (3Z)-N-(2-fluoroethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine?
The canonical SMILES for (3Z)-N-(2-fluoroethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine is C=C(C)/C=C\C(=C)N(C)CCF.
What is the InChIKey of (3Z)-N-(2-fluoroethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine?
The InChIKey is GJLWENTXQPCBSN-WAYWQWQTSA-N. The full InChI is InChI=1S/C10H16FN/c1-9(2)5-6-10(3)12(4)8-7-11/h5-6H,1,3,7-8H2,2,4H3/b6-5-.
What are the key properties of (3Z)-N-(2-fluoroethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine?
(3Z)-N-(2-fluoroethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine has a molecular weight of 169.24 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-(2-fluoroethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine is sourced from PubChem (CID 142308912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).