(Z,4E)-4-(fluoromethylidene)-N,N-dimethyl-2-prop-1-en-2-ylhex-2-en-1-amine

C12H20FN — CID 146499610

IUPAC(Z,4E)-4-(fluoromethylidene)-N,N-dimethyl-2-prop-1-en-2-ylhex-2-en-1-amine
SMILESC=C(C)/C(=C/C(=C/F)CC)CN(C)C
InChIInChI=1S/C12H20FN/c1-6-11(8-13)7-12(10(2)3)9-14(4)5/h7-8H,2,6,9H2,1,3-5H3/b11-8+,12-7+
InChIKeySDIPTALQSBLJJJ-NFLJZBCPSA-N
MW197.30 g/mol
LogP3.31
Rot. Bonds5

About (Z,4E)-4-(fluoromethylidene)-N,N-dimethyl-2-prop-1-en-2-ylhex-2-en-1-amine

(Z,4E)-4-(fluoromethylidene)-N,N-dimethyl-2-prop-1-en-2-ylhex-2-en-1-amine (PubChem CID 146499610) has the molecular formula C12H20FN and a molecular weight of 197.30 g/mol. Its IUPAC name is (Z,4E)-4-(fluoromethylidene)-N,N-dimethyl-2-prop-1-en-2-ylhex-2-en-1-amine.

Molecular Properties

Compound Name(Z,4E)-4-(fluoromethylidene)-N,N-dimethyl-2-prop-1-en-2-ylhex-2-en-1-amine
PubChem CID146499610
Molecular FormulaC12H20FN
Molecular Weight197.30 g/mol
Exact Mass197.16
IUPAC Name(Z,4E)-4-(fluoromethylidene)-N,N-dimethyl-2-prop-1-en-2-ylhex-2-en-1-amine
SMILESC=C(C)/C(=C/C(=C/F)CC)CN(C)C
InChIInChI=1S/C12H20FN/c1-6-11(8-13)7-12(10(2)3)9-14(4)5/h7-8H,2,6,9H2,1,3-5H3/b11-8+,12-7+
InChIKeySDIPTALQSBLJJJ-NFLJZBCPSA-N
XLogP3.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 53.31
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

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CID 10036134
Ferrocene, ((dimethylamino)methyl)-
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CID 91292553
N-butyl-N-ethyl-1-fluorocyclohexa-2,4-dien-1-amine
CID 23123359
1-(2-fluoroethyl)-4-methyl-3,6-dihydro-2H-pyridine
CID 88589110
(2E)-2-[(Z)-3-fluoroprop-1-enyl]-N,N-dimethylpenta-2,4-dien-1-amine
CID 89502908
1-Tert-butyl-3-(1-fluoroethenyl)-4-prop-1-en-2-yl-2,5-dihydropyrrole
CID 90804972
(3Z)-3-(1-fluoro-3-methylbut-2-enylidene)-1-methyl-4-methylidenepyrrolidine
CID 121388651
7-Fluoro-1,5,6-trimethyl-2,3-dihydroazepine
CID 123322899
6-But-2-en-2-yl-7-fluoro-1,5-dimethyl-2,3-dihydroazepine
CID 123848985
(3E,5E)-6-fluoro-N,N,3-trimethylnona-3,5-dien-7-yn-1-amine
CID 126549001
1-(5-fluorocyclohexa-1,5-dien-1-yl)-N,N-dimethylmethanamine
CID 129059918

Frequently Asked Questions

What is the IUPAC name of (Z,4E)-4-(fluoromethylidene)-N,N-dimethyl-2-prop-1-en-2-ylhex-2-en-1-amine?
The IUPAC name of (Z,4E)-4-(fluoromethylidene)-N,N-dimethyl-2-prop-1-en-2-ylhex-2-en-1-amine (CID 146499610) is (Z,4E)-4-(fluoromethylidene)-N,N-dimethyl-2-prop-1-en-2-ylhex-2-en-1-amine.
What is the SMILES notation for (Z,4E)-4-(fluoromethylidene)-N,N-dimethyl-2-prop-1-en-2-ylhex-2-en-1-amine?
The canonical SMILES for (Z,4E)-4-(fluoromethylidene)-N,N-dimethyl-2-prop-1-en-2-ylhex-2-en-1-amine is C=C(C)/C(=C/C(=C/F)CC)CN(C)C.
What is the InChIKey of (Z,4E)-4-(fluoromethylidene)-N,N-dimethyl-2-prop-1-en-2-ylhex-2-en-1-amine?
The InChIKey is SDIPTALQSBLJJJ-NFLJZBCPSA-N. The full InChI is InChI=1S/C12H20FN/c1-6-11(8-13)7-12(10(2)3)9-14(4)5/h7-8H,2,6,9H2,1,3-5H3/b11-8+,12-7+.
What are the key properties of (Z,4E)-4-(fluoromethylidene)-N,N-dimethyl-2-prop-1-en-2-ylhex-2-en-1-amine?
(Z,4E)-4-(fluoromethylidene)-N,N-dimethyl-2-prop-1-en-2-ylhex-2-en-1-amine has a molecular weight of 197.30 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4E)-4-(fluoromethylidene)-N,N-dimethyl-2-prop-1-en-2-ylhex-2-en-1-amine is sourced from PubChem (CID 146499610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).