(2E)-N-ethyl-2-(fluoromethylidene)-N,5-dimethylhexan-1-amine

C11H22FN — CID 176712865

IUPAC(2E)-N-ethyl-2-(fluoromethylidene)-N,5-dimethylhexan-1-amine
SMILESCCN(C)C/C(=C/F)CCC(C)C
InChIInChI=1S/C11H22FN/c1-5-13(4)9-11(8-12)7-6-10(2)3/h8,10H,5-7,9H2,1-4H3/b11-8+
InChIKeyUFQMTVMOOLZPTH-DHZHZOJOSA-N
MW187.30 g/mol
LogP3.23
Rot. Bonds6

About (2E)-N-ethyl-2-(fluoromethylidene)-N,5-dimethylhexan-1-amine

(2E)-N-ethyl-2-(fluoromethylidene)-N,5-dimethylhexan-1-amine (PubChem CID 176712865) has the molecular formula C11H22FN and a molecular weight of 187.30 g/mol. Its IUPAC name is (2E)-N-ethyl-2-(fluoromethylidene)-N,5-dimethylhexan-1-amine.

Molecular Properties

Compound Name(2E)-N-ethyl-2-(fluoromethylidene)-N,5-dimethylhexan-1-amine
PubChem CID176712865
Molecular FormulaC11H22FN
Molecular Weight187.30 g/mol
Exact Mass187.17
IUPAC Name(2E)-N-ethyl-2-(fluoromethylidene)-N,5-dimethylhexan-1-amine
SMILESCCN(C)C/C(=C/F)CCC(C)C
InChIInChI=1S/C11H22FN/c1-5-13(4)9-11(8-12)7-6-10(2)3/h8,10H,5-7,9H2,1-4H3/b11-8+
InChIKeyUFQMTVMOOLZPTH-DHZHZOJOSA-N
XLogP3.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.30
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-diethyl-2-methylhept-6-en-1-amine
CID 17824958
6,6-difluoro-N,N,5-trimethyl-2-methylidenehex-5-en-1-amine
CID 58962881
3-(1-Fluoroethyl)-1-methyl-4-propan-2-yl-2,3-dihydropyrrole
CID 123599714
3-fluoro-N,N,3,6-tetramethylhept-6-en-1-amine
CID 155274741
N-but-3-enyl-1-fluoro-N,5-dimethyl-4-methylidenehexan-1-amine
CID 156185949
(4E)-4-(fluoromethylidene)-1-methyl-2-(2-methylpropyl)pyrrolidine
CID 162730758
(4Z)-4-(fluoromethylidene)-1-methyl-2-propan-2-ylpyrrolidine
CID 163514840
(4E)-4-(fluoromethylidene)-1-methyl-2-propan-2-ylpyrrolidine
CID 164062077
(4Z)-4-(fluoromethylidene)-1-methyl-2-(2-methylpropyl)pyrrolidine
CID 166984290
4-fluoro-2-methylidene-N-(2-methylprop-2-enyl)-N-propylpentan-1-amine
CID 167217035
3-Fluoro-1-methyl-5-propan-2-yl-2,3,4,7-tetrahydroazepine
CID 172496550
(3R)-3-fluoro-1-methyl-5-propan-2-yl-2,3,4,7-tetrahydroazepine
CID 172496573

Frequently Asked Questions

What is the IUPAC name of (2E)-N-ethyl-2-(fluoromethylidene)-N,5-dimethylhexan-1-amine?
The IUPAC name of (2E)-N-ethyl-2-(fluoromethylidene)-N,5-dimethylhexan-1-amine (CID 176712865) is (2E)-N-ethyl-2-(fluoromethylidene)-N,5-dimethylhexan-1-amine.
What is the SMILES notation for (2E)-N-ethyl-2-(fluoromethylidene)-N,5-dimethylhexan-1-amine?
The canonical SMILES for (2E)-N-ethyl-2-(fluoromethylidene)-N,5-dimethylhexan-1-amine is CCN(C)C/C(=C/F)CCC(C)C.
What is the InChIKey of (2E)-N-ethyl-2-(fluoromethylidene)-N,5-dimethylhexan-1-amine?
The InChIKey is UFQMTVMOOLZPTH-DHZHZOJOSA-N. The full InChI is InChI=1S/C11H22FN/c1-5-13(4)9-11(8-12)7-6-10(2)3/h8,10H,5-7,9H2,1-4H3/b11-8+.
What are the key properties of (2E)-N-ethyl-2-(fluoromethylidene)-N,5-dimethylhexan-1-amine?
(2E)-N-ethyl-2-(fluoromethylidene)-N,5-dimethylhexan-1-amine has a molecular weight of 187.30 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-ethyl-2-(fluoromethylidene)-N,5-dimethylhexan-1-amine is sourced from PubChem (CID 176712865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).