N-(2-ethoxyethyl)-2-ethylidene-N-methylpent-3-en-1-amine

C12H23NO — CID 123938505

IUPACN-(2-ethoxyethyl)-2-ethylidene-N-methylpent-3-en-1-amine
SMILESCC=CC(=CC)CN(C)CCOCC
InChIInChI=1S/C12H23NO/c1-5-8-12(6-2)11-13(4)9-10-14-7-3/h5-6,8H,7,9-11H2,1-4H3
InChIKeyFSYQYSDUZPLRHA-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.48
Rot. Bonds7

About N-(2-ethoxyethyl)-2-ethylidene-N-methylpent-3-en-1-amine

N-(2-ethoxyethyl)-2-ethylidene-N-methylpent-3-en-1-amine (PubChem CID 123938505) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-2-ethylidene-N-methylpent-3-en-1-amine.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-2-ethylidene-N-methylpent-3-en-1-amine
PubChem CID123938505
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-(2-ethoxyethyl)-2-ethylidene-N-methylpent-3-en-1-amine
SMILESCC=CC(=CC)CN(C)CCOCC
InChIInChI=1S/C12H23NO/c1-5-8-12(6-2)11-13(4)9-10-14-7-3/h5-6,8H,7,9-11H2,1-4H3
InChIKeyFSYQYSDUZPLRHA-UHFFFAOYSA-N
XLogP2.48
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-2-ethylidene-N-methylpent-3-en-1-amine?
The IUPAC name of N-(2-ethoxyethyl)-2-ethylidene-N-methylpent-3-en-1-amine (CID 123938505) is N-(2-ethoxyethyl)-2-ethylidene-N-methylpent-3-en-1-amine.
What is the SMILES notation for N-(2-ethoxyethyl)-2-ethylidene-N-methylpent-3-en-1-amine?
The canonical SMILES for N-(2-ethoxyethyl)-2-ethylidene-N-methylpent-3-en-1-amine is CC=CC(=CC)CN(C)CCOCC.
What is the InChIKey of N-(2-ethoxyethyl)-2-ethylidene-N-methylpent-3-en-1-amine?
The InChIKey is FSYQYSDUZPLRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-5-8-12(6-2)11-13(4)9-10-14-7-3/h5-6,8H,7,9-11H2,1-4H3.
What are the key properties of N-(2-ethoxyethyl)-2-ethylidene-N-methylpent-3-en-1-amine?
N-(2-ethoxyethyl)-2-ethylidene-N-methylpent-3-en-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.48, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-2-ethylidene-N-methylpent-3-en-1-amine is sourced from PubChem (CID 123938505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).