N-[2-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]butan-1-amine;molecular hydrogen

C18H41N3O3 — CID 155582630

IUPACN-[2-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]butan-1-amine;molecular hydrogen
SMILESCCCCNCCOCCOCCOCCN1CCN(CC)CC1.[H][H]
InChIInChI=1S/C18H39N3O3.H2/c1-3-5-6-19-7-13-22-15-17-24-18-16-23-14-12-21-10-8-20(4-2)9-11-21;/h19H,3-18H2,1-2H3;1H
InChIKeyGMQAKESOIIZQPO-UHFFFAOYSA-N
MW347.54 g/mol
LogP1.31
Rot. Bonds16

About N-[2-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]butan-1-amine;molecular hydrogen

N-[2-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]butan-1-amine;molecular hydrogen (PubChem CID 155582630) has the molecular formula C18H41N3O3 and a molecular weight of 347.54 g/mol. Its IUPAC name is N-[2-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]butan-1-amine;molecular hydrogen.

Molecular Properties

Compound NameN-[2-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]butan-1-amine;molecular hydrogen
PubChem CID155582630
Molecular FormulaC18H41N3O3
Molecular Weight347.54 g/mol
Exact Mass347.31
IUPAC NameN-[2-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]butan-1-amine;molecular hydrogen
SMILESCCCCNCCOCCOCCOCCN1CCN(CC)CC1.[H][H]
InChIInChI=1S/C18H39N3O3.H2/c1-3-5-6-19-7-13-22-15-17-24-18-16-23-14-12-21-10-8-20(4-2)9-11-21;/h19H,3-18H2,1-2H3;1H
InChIKeyGMQAKESOIIZQPO-UHFFFAOYSA-N
XLogP1.31
TPSA46.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.54
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethane;molecular hydrogen;N-[2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]ethyl]butan-1-amine
CID 170584628
N-(2-butoxyethyl)-2-(4-ethylpiperazin-1-yl)ethanamine
CID 62574670
N-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-methylpropan-1-amine
CID 148587851
N-[2-[2-[2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine
CID 167191561
2-(2-pyrrolidin-1-ylethoxy)-N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]ethanamine
CID 118891597
3-(4-butylpiperazin-1-yl)-N-[3-(4-butylpiperazin-1-yl)propyl]propan-1-amine
CID 69028178
N-[2-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 155751864
N-(2-butoxyethyl)-N'-(1-ethylpiperidin-4-yl)-N'-methylethane-1,2-diamine
CID 62554486
N-(2-methoxyethyl)-3-(4-propylpiperazin-1-yl)propan-1-amine
CID 62568582
N-[2-(2-methoxyethoxy)ethyl]-3-piperidin-1-ylpropan-1-amine
CID 114031951
N-(2-pentoxyethyl)butan-1-amine
CID 54396114
2-[4-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethyl]piperazin-1-yl]ethanol
CID 100986630

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]butan-1-amine;molecular hydrogen?
The IUPAC name of N-[2-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]butan-1-amine;molecular hydrogen (CID 155582630) is N-[2-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]butan-1-amine;molecular hydrogen.
What is the SMILES notation for N-[2-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]butan-1-amine;molecular hydrogen?
The canonical SMILES for N-[2-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]butan-1-amine;molecular hydrogen is CCCCNCCOCCOCCOCCN1CCN(CC)CC1.[H][H].
What is the InChIKey of N-[2-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]butan-1-amine;molecular hydrogen?
The InChIKey is GMQAKESOIIZQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N3O3.H2/c1-3-5-6-19-7-13-22-15-17-24-18-16-23-14-12-21-10-8-20(4-2)9-11-21;/h19H,3-18H2,1-2H3;1H.
What are the key properties of N-[2-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]butan-1-amine;molecular hydrogen?
N-[2-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]butan-1-amine;molecular hydrogen has a molecular weight of 347.54 g/mol, XLogP of 1.31, 16 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]butan-1-amine;molecular hydrogen is sourced from PubChem (CID 155582630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).