N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]-4-methylhex-1-en-2-amine

C17H35NO4 — CID 155184640

IUPACN-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]-4-methylhex-1-en-2-amine
SMILESC=C(CC(C)CC)NCCOCCOCCOCCOCC
InChIInChI=1S/C17H35NO4/c1-5-16(3)15-17(4)18-7-8-20-11-12-22-14-13-21-10-9-19-6-2/h16,18H,4-15H2,1-3H3
InChIKeyWAXLUHLNCVUALH-UHFFFAOYSA-N
MW317.47 g/mol
LogP2.61
Rot. Bonds17

About N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]-4-methylhex-1-en-2-amine

N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]-4-methylhex-1-en-2-amine (PubChem CID 155184640) has the molecular formula C17H35NO4 and a molecular weight of 317.47 g/mol. Its IUPAC name is N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]-4-methylhex-1-en-2-amine.

Molecular Properties

Compound NameN-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]-4-methylhex-1-en-2-amine
PubChem CID155184640
Molecular FormulaC17H35NO4
Molecular Weight317.47 g/mol
Exact Mass317.26
IUPAC NameN-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]-4-methylhex-1-en-2-amine
SMILESC=C(CC(C)CC)NCCOCCOCCOCCOCC
InChIInChI=1S/C17H35NO4/c1-5-16(3)15-17(4)18-7-8-20-11-12-22-14-13-21-10-9-19-6-2/h16,18H,4-15H2,1-3H3
InChIKeyWAXLUHLNCVUALH-UHFFFAOYSA-N
XLogP2.61
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.47
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]-4-methylhex-1-en-2-amine?
The IUPAC name of N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]-4-methylhex-1-en-2-amine (CID 155184640) is N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]-4-methylhex-1-en-2-amine.
What is the SMILES notation for N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]-4-methylhex-1-en-2-amine?
The canonical SMILES for N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]-4-methylhex-1-en-2-amine is C=C(CC(C)CC)NCCOCCOCCOCCOCC.
What is the InChIKey of N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]-4-methylhex-1-en-2-amine?
The InChIKey is WAXLUHLNCVUALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO4/c1-5-16(3)15-17(4)18-7-8-20-11-12-22-14-13-21-10-9-19-6-2/h16,18H,4-15H2,1-3H3.
What are the key properties of N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]-4-methylhex-1-en-2-amine?
N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]-4-methylhex-1-en-2-amine has a molecular weight of 317.47 g/mol, XLogP of 2.61, 17 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]-4-methylhex-1-en-2-amine is sourced from PubChem (CID 155184640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).