N-ethyl-2-[5-[2-(ethylamino)ethoxy]-3,3-bis[2-[2-(ethylamino)ethoxy]ethyl]pentoxy]ethanamine

C25H56N4O4 — CID 143968135

IUPACN-ethyl-2-[5-[2-(ethylamino)ethoxy]-3,3-bis[2-[2-(ethylamino)ethoxy]ethyl]pentoxy]ethanamine
SMILESCCNCCOCCC(CCOCCNCC)(CCOCCNCC)CCOCCNCC
InChIInChI=1S/C25H56N4O4/c1-5-26-13-21-30-17-9-25(10-18-31-22-14-27-6-2,11-19-32-23-15-28-7-3)12-20-33-24-16-29-8-4/h26-29H,5-24H2,1-4H3
InChIKeyOJESNRQXWPYGSO-UHFFFAOYSA-N
MW476.75 g/mol
LogP2.04
Rot. Bonds28

About N-ethyl-2-[5-[2-(ethylamino)ethoxy]-3,3-bis[2-[2-(ethylamino)ethoxy]ethyl]pentoxy]ethanamine

N-ethyl-2-[5-[2-(ethylamino)ethoxy]-3,3-bis[2-[2-(ethylamino)ethoxy]ethyl]pentoxy]ethanamine (PubChem CID 143968135) has the molecular formula C25H56N4O4 and a molecular weight of 476.75 g/mol. Its IUPAC name is N-ethyl-2-[5-[2-(ethylamino)ethoxy]-3,3-bis[2-[2-(ethylamino)ethoxy]ethyl]pentoxy]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[5-[2-(ethylamino)ethoxy]-3,3-bis[2-[2-(ethylamino)ethoxy]ethyl]pentoxy]ethanamine
PubChem CID143968135
Molecular FormulaC25H56N4O4
Molecular Weight476.75 g/mol
Exact Mass476.43
IUPAC NameN-ethyl-2-[5-[2-(ethylamino)ethoxy]-3,3-bis[2-[2-(ethylamino)ethoxy]ethyl]pentoxy]ethanamine
SMILESCCNCCOCCC(CCOCCNCC)(CCOCCNCC)CCOCCNCC
InChIInChI=1S/C25H56N4O4/c1-5-26-13-21-30-17-9-25(10-18-31-22-14-27-6-2,11-19-32-23-15-28-7-3)12-20-33-24-16-29-8-4/h26-29H,5-24H2,1-4H3
InChIKeyOJESNRQXWPYGSO-UHFFFAOYSA-N
XLogP2.04
TPSA85.04 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds28
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.75
LogP ≤ 52.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-(2,2-dimethylpropoxy)-N-ethylethanamine
CID 126704889
N-ethyl-2-(2-fluoroethoxy)ethanamine
CID 80696414
N-ethyl-2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 155459726
N-ethyl-2-[2-(3-methylbutoxy)ethoxy]ethanamine
CID 62336857
2-ethoxy-N-ethylethanamine;hydrochloride
CID 86621180
3-[2-(ethylamino)ethoxymethyl]pentan-3-ol
CID 106939555
5-(3,3-dimethylbutoxy)-N-ethylpentan-1-amine
CID 66227733
N-ethyl-2-(3-methylsulfonylpropoxy)ethanamine
CID 63191293
N-ethyl-4-(3,3,3-trifluoropropoxy)butan-1-amine
CID 82958004
N-ethyl-2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethanamine
CID 138726958
2,2-diethyl-4-[2-(2-methoxyethoxy)ethoxy]-N-(2-methoxyethyl)butan-1-amine
CID 104566572
4-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]butan-2-one
CID 137458388

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[5-[2-(ethylamino)ethoxy]-3,3-bis[2-[2-(ethylamino)ethoxy]ethyl]pentoxy]ethanamine?
The IUPAC name of N-ethyl-2-[5-[2-(ethylamino)ethoxy]-3,3-bis[2-[2-(ethylamino)ethoxy]ethyl]pentoxy]ethanamine (CID 143968135) is N-ethyl-2-[5-[2-(ethylamino)ethoxy]-3,3-bis[2-[2-(ethylamino)ethoxy]ethyl]pentoxy]ethanamine.
What is the SMILES notation for N-ethyl-2-[5-[2-(ethylamino)ethoxy]-3,3-bis[2-[2-(ethylamino)ethoxy]ethyl]pentoxy]ethanamine?
The canonical SMILES for N-ethyl-2-[5-[2-(ethylamino)ethoxy]-3,3-bis[2-[2-(ethylamino)ethoxy]ethyl]pentoxy]ethanamine is CCNCCOCCC(CCOCCNCC)(CCOCCNCC)CCOCCNCC.
What is the InChIKey of N-ethyl-2-[5-[2-(ethylamino)ethoxy]-3,3-bis[2-[2-(ethylamino)ethoxy]ethyl]pentoxy]ethanamine?
The InChIKey is OJESNRQXWPYGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H56N4O4/c1-5-26-13-21-30-17-9-25(10-18-31-22-14-27-6-2,11-19-32-23-15-28-7-3)12-20-33-24-16-29-8-4/h26-29H,5-24H2,1-4H3.
What are the key properties of N-ethyl-2-[5-[2-(ethylamino)ethoxy]-3,3-bis[2-[2-(ethylamino)ethoxy]ethyl]pentoxy]ethanamine?
N-ethyl-2-[5-[2-(ethylamino)ethoxy]-3,3-bis[2-[2-(ethylamino)ethoxy]ethyl]pentoxy]ethanamine has a molecular weight of 476.75 g/mol, XLogP of 2.04, 28 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[5-[2-(ethylamino)ethoxy]-3,3-bis[2-[2-(ethylamino)ethoxy]ethyl]pentoxy]ethanamine is sourced from PubChem (CID 143968135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).