(3E)-3-(fluoromethylidene)-2-(methoxymethyl)-N,N-dimethylpentan-1-amine

C10H20FNO — CID 177009601

IUPAC(3E)-3-(fluoromethylidene)-2-(methoxymethyl)-N,N-dimethylpentan-1-amine
SMILESCC/C(=C\F)C(COC)CN(C)C
InChIInChI=1S/C10H20FNO/c1-5-9(6-11)10(8-13-4)7-12(2)3/h6,10H,5,7-8H2,1-4H3/b9-6+
InChIKeyDSGPYYDLPIALTC-RMKNXTFCSA-N
MW189.27 g/mol
LogP2.07
Rot. Bonds6

About (3E)-3-(fluoromethylidene)-2-(methoxymethyl)-N,N-dimethylpentan-1-amine

(3E)-3-(fluoromethylidene)-2-(methoxymethyl)-N,N-dimethylpentan-1-amine (PubChem CID 177009601) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is (3E)-3-(fluoromethylidene)-2-(methoxymethyl)-N,N-dimethylpentan-1-amine.

Molecular Properties

Compound Name(3E)-3-(fluoromethylidene)-2-(methoxymethyl)-N,N-dimethylpentan-1-amine
PubChem CID177009601
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Name(3E)-3-(fluoromethylidene)-2-(methoxymethyl)-N,N-dimethylpentan-1-amine
SMILESCC/C(=C\F)C(COC)CN(C)C
InChIInChI=1S/C10H20FNO/c1-5-9(6-11)10(8-13-4)7-12(2)3/h6,10H,5,7-8H2,1-4H3/b9-6+
InChIKeyDSGPYYDLPIALTC-RMKNXTFCSA-N
XLogP2.07
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4E)-3-(ethoxymethyl)-4-(fluoromethylidene)-1-methylpiperidine
CID 177009560
(4E)-1-ethyl-4-(fluoromethylidene)-3-(methoxymethyl)piperidine
CID 177009741
(4E)-4-(fluoromethylidene)-3-(methoxymethyl)-1-methylpiperidine
CID 177009562
1-(3-but-1-en-2-yloxetan-3-yl)-N,N-dimethylmethanamine
CID 177009089
ethane;(4E)-4-(fluoromethylidene)-3-(methoxymethyl)-1-methylpiperidine
CID 177009561
ethane;(3E)-3-(fluoromethylidene)-2-(methoxymethyl)-N,N-dimethylpentan-1-amine
CID 177009600
ethane;(4E)-4-(fluoromethylidene)-3-(methoxymethyl)-1-methylpiperidine
CID 177010065

Frequently Asked Questions

What is the IUPAC name of (3E)-3-(fluoromethylidene)-2-(methoxymethyl)-N,N-dimethylpentan-1-amine?
The IUPAC name of (3E)-3-(fluoromethylidene)-2-(methoxymethyl)-N,N-dimethylpentan-1-amine (CID 177009601) is (3E)-3-(fluoromethylidene)-2-(methoxymethyl)-N,N-dimethylpentan-1-amine.
What is the SMILES notation for (3E)-3-(fluoromethylidene)-2-(methoxymethyl)-N,N-dimethylpentan-1-amine?
The canonical SMILES for (3E)-3-(fluoromethylidene)-2-(methoxymethyl)-N,N-dimethylpentan-1-amine is CC/C(=C\F)C(COC)CN(C)C.
What is the InChIKey of (3E)-3-(fluoromethylidene)-2-(methoxymethyl)-N,N-dimethylpentan-1-amine?
The InChIKey is DSGPYYDLPIALTC-RMKNXTFCSA-N. The full InChI is InChI=1S/C10H20FNO/c1-5-9(6-11)10(8-13-4)7-12(2)3/h6,10H,5,7-8H2,1-4H3/b9-6+.
What are the key properties of (3E)-3-(fluoromethylidene)-2-(methoxymethyl)-N,N-dimethylpentan-1-amine?
(3E)-3-(fluoromethylidene)-2-(methoxymethyl)-N,N-dimethylpentan-1-amine has a molecular weight of 189.27 g/mol, XLogP of 2.07, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(fluoromethylidene)-2-(methoxymethyl)-N,N-dimethylpentan-1-amine is sourced from PubChem (CID 177009601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).