(2E)-N-(2-methoxyethyl)-3-methyl-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine

C14H27NO2 — CID 82839868

IUPAC(2E)-N-(2-methoxyethyl)-3-methyl-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine
SMILESCOCCNC/C(=C/C1CCC(C)O1)C(C)C
InChIInChI=1S/C14H27NO2/c1-11(2)13(10-15-7-8-16-4)9-14-6-5-12(3)17-14/h9,11-12,14-15H,5-8,10H2,1-4H3/b13-9-
InChIKeyDNMWHDQLYRXTEU-LCYFTJDESA-N
MW241.37 g/mol
LogP2.37
Rot. Bonds7

About (2E)-N-(2-methoxyethyl)-3-methyl-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine

(2E)-N-(2-methoxyethyl)-3-methyl-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine (PubChem CID 82839868) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is (2E)-N-(2-methoxyethyl)-3-methyl-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine.

Molecular Properties

Compound Name(2E)-N-(2-methoxyethyl)-3-methyl-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine
PubChem CID82839868
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name(2E)-N-(2-methoxyethyl)-3-methyl-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine
SMILESCOCCNC/C(=C/C1CCC(C)O1)C(C)C
InChIInChI=1S/C14H27NO2/c1-11(2)13(10-15-7-8-16-4)9-14-6-5-12(3)17-14/h9,11-12,14-15H,5-8,10H2,1-4H3/b13-9-
InChIKeyDNMWHDQLYRXTEU-LCYFTJDESA-N
XLogP2.37
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-N-(2-methoxyethyl)-3-methyl-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine?
The IUPAC name of (2E)-N-(2-methoxyethyl)-3-methyl-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine (CID 82839868) is (2E)-N-(2-methoxyethyl)-3-methyl-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine.
What is the SMILES notation for (2E)-N-(2-methoxyethyl)-3-methyl-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine?
The canonical SMILES for (2E)-N-(2-methoxyethyl)-3-methyl-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine is COCCNC/C(=C/C1CCC(C)O1)C(C)C.
What is the InChIKey of (2E)-N-(2-methoxyethyl)-3-methyl-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine?
The InChIKey is DNMWHDQLYRXTEU-LCYFTJDESA-N. The full InChI is InChI=1S/C14H27NO2/c1-11(2)13(10-15-7-8-16-4)9-14-6-5-12(3)17-14/h9,11-12,14-15H,5-8,10H2,1-4H3/b13-9-.
What are the key properties of (2E)-N-(2-methoxyethyl)-3-methyl-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine?
(2E)-N-(2-methoxyethyl)-3-methyl-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine has a molecular weight of 241.37 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-(2-methoxyethyl)-3-methyl-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine is sourced from PubChem (CID 82839868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).