N,N-bis(3-ethoxypropyl)octan-1-amine

C18H39NO2 — CID 3085381

IUPACN,N-bis(3-ethoxypropyl)octan-1-amine
SMILESCCCCCCCCN(CCCOCC)CCCOCC
InChIInChI=1S/C18H39NO2/c1-4-7-8-9-10-11-14-19(15-12-17-20-5-2)16-13-18-21-6-3/h4-18H2,1-3H3
InChIKeyLQFJXQYYUDJVSZ-UHFFFAOYSA-N
MW301.51 g/mol
LogP4.50
Rot. Bonds17

About N,N-bis(3-ethoxypropyl)octan-1-amine

N,N-bis(3-ethoxypropyl)octan-1-amine (PubChem CID 3085381) has the molecular formula C18H39NO2 and a molecular weight of 301.51 g/mol. Its IUPAC name is N,N-bis(3-ethoxypropyl)octan-1-amine.

Molecular Properties

Compound NameN,N-bis(3-ethoxypropyl)octan-1-amine
PubChem CID3085381
Molecular FormulaC18H39NO2
Molecular Weight301.51 g/mol
Exact Mass301.30
IUPAC NameN,N-bis(3-ethoxypropyl)octan-1-amine
SMILESCCCCCCCCN(CCCOCC)CCCOCC
InChIInChI=1S/C18H39NO2/c1-4-7-8-9-10-11-14-19(15-12-17-20-5-2)16-13-18-21-6-3/h4-18H2,1-3H3
InChIKeyLQFJXQYYUDJVSZ-UHFFFAOYSA-N
XLogP4.50
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.51
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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,N-bis(3-ethoxypropyl)octan-1-amine?
The IUPAC name of N,N-bis(3-ethoxypropyl)octan-1-amine (CID 3085381) is N,N-bis(3-ethoxypropyl)octan-1-amine.
What is the SMILES notation for N,N-bis(3-ethoxypropyl)octan-1-amine?
The canonical SMILES for N,N-bis(3-ethoxypropyl)octan-1-amine is CCCCCCCCN(CCCOCC)CCCOCC.
What is the InChIKey of N,N-bis(3-ethoxypropyl)octan-1-amine?
The InChIKey is LQFJXQYYUDJVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39NO2/c1-4-7-8-9-10-11-14-19(15-12-17-20-5-2)16-13-18-21-6-3/h4-18H2,1-3H3.
What are the key properties of N,N-bis(3-ethoxypropyl)octan-1-amine?
N,N-bis(3-ethoxypropyl)octan-1-amine has a molecular weight of 301.51 g/mol, XLogP of 4.50, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(3-ethoxypropyl)octan-1-amine is sourced from PubChem (CID 3085381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).