N,N-diethyl-2-[(3E)-2-ethyl-3-ethylidene-4-methylideneoxolan-2-yl]ethanamine

C15H27NO — CID 137428862

IUPACN,N-diethyl-2-[(3E)-2-ethyl-3-ethylidene-4-methylideneoxolan-2-yl]ethanamine
SMILESC=C1COC(CC)(CCN(CC)CC)/C1=C/C
InChIInChI=1S/C15H27NO/c1-6-14-13(5)12-17-15(14,7-2)10-11-16(8-3)9-4/h6H,5,7-12H2,1-4H3/b14-6+
InChIKeyGVJQYNXKGYQBGI-MKMNVTDBSA-N
MW237.39 g/mol
LogP3.40
Rot. Bonds6

About N,N-diethyl-2-[(3E)-2-ethyl-3-ethylidene-4-methylideneoxolan-2-yl]ethanamine

N,N-diethyl-2-[(3E)-2-ethyl-3-ethylidene-4-methylideneoxolan-2-yl]ethanamine (PubChem CID 137428862) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is N,N-diethyl-2-[(3E)-2-ethyl-3-ethylidene-4-methylideneoxolan-2-yl]ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-[(3E)-2-ethyl-3-ethylidene-4-methylideneoxolan-2-yl]ethanamine
PubChem CID137428862
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC NameN,N-diethyl-2-[(3E)-2-ethyl-3-ethylidene-4-methylideneoxolan-2-yl]ethanamine
SMILESC=C1COC(CC)(CCN(CC)CC)/C1=C/C
InChIInChI=1S/C15H27NO/c1-6-14-13(5)12-17-15(14,7-2)10-11-16(8-3)9-4/h6H,5,7-12H2,1-4H3/b14-6+
InChIKeyGVJQYNXKGYQBGI-MKMNVTDBSA-N
XLogP3.40
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(3E)-2-ethyl-3-ethylidene-4-methylideneoxolan-2-yl]ethanamine?
The IUPAC name of N,N-diethyl-2-[(3E)-2-ethyl-3-ethylidene-4-methylideneoxolan-2-yl]ethanamine (CID 137428862) is N,N-diethyl-2-[(3E)-2-ethyl-3-ethylidene-4-methylideneoxolan-2-yl]ethanamine.
What is the SMILES notation for N,N-diethyl-2-[(3E)-2-ethyl-3-ethylidene-4-methylideneoxolan-2-yl]ethanamine?
The canonical SMILES for N,N-diethyl-2-[(3E)-2-ethyl-3-ethylidene-4-methylideneoxolan-2-yl]ethanamine is C=C1COC(CC)(CCN(CC)CC)/C1=C/C.
What is the InChIKey of N,N-diethyl-2-[(3E)-2-ethyl-3-ethylidene-4-methylideneoxolan-2-yl]ethanamine?
The InChIKey is GVJQYNXKGYQBGI-MKMNVTDBSA-N. The full InChI is InChI=1S/C15H27NO/c1-6-14-13(5)12-17-15(14,7-2)10-11-16(8-3)9-4/h6H,5,7-12H2,1-4H3/b14-6+.
What are the key properties of N,N-diethyl-2-[(3E)-2-ethyl-3-ethylidene-4-methylideneoxolan-2-yl]ethanamine?
N,N-diethyl-2-[(3E)-2-ethyl-3-ethylidene-4-methylideneoxolan-2-yl]ethanamine has a molecular weight of 237.39 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(3E)-2-ethyl-3-ethylidene-4-methylideneoxolan-2-yl]ethanamine is sourced from PubChem (CID 137428862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).