ethane;molecular hydrogen;N-[2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]ethyl]butan-1-amine

C18H43N3O3 — CID 170584628

IUPACethane;molecular hydrogen;N-[2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]ethyl]butan-1-amine
SMILESCC.CCCCNCCOCCOCCOCCN1CCNCC1.[H][H]
InChIInChI=1S/C16H35N3O3.C2H6.H2/c1-2-3-4-17-7-11-20-13-15-22-16-14-21-12-10-19-8-5-18-6-9-19;1-2;/h17-18H,2-16H2,1H3;1-2H3;1H
InChIKeyWPGLSCVJHBJAOQ-UHFFFAOYSA-N
MW349.56 g/mol
LogP1.60
Rot. Bonds15

About ethane;molecular hydrogen;N-[2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]ethyl]butan-1-amine

ethane;molecular hydrogen;N-[2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]ethyl]butan-1-amine (PubChem CID 170584628) has the molecular formula C18H43N3O3 and a molecular weight of 349.56 g/mol. Its IUPAC name is ethane;molecular hydrogen;N-[2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]ethyl]butan-1-amine.

Molecular Properties

Compound Nameethane;molecular hydrogen;N-[2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]ethyl]butan-1-amine
PubChem CID170584628
Molecular FormulaC18H43N3O3
Molecular Weight349.56 g/mol
Exact Mass349.33
IUPAC Nameethane;molecular hydrogen;N-[2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]ethyl]butan-1-amine
SMILESCC.CCCCNCCOCCOCCOCCN1CCNCC1.[H][H]
InChIInChI=1S/C16H35N3O3.C2H6.H2/c1-2-3-4-17-7-11-20-13-15-22-16-14-21-12-10-19-8-5-18-6-9-19;1-2;/h17-18H,2-16H2,1H3;1-2H3;1H
InChIKeyWPGLSCVJHBJAOQ-UHFFFAOYSA-N
XLogP1.60
TPSA54.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.56
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]butan-1-amine;molecular hydrogen
CID 155582630
N-(3-piperazin-1-ylpropyl)pentan-1-amine
CID 67333838
N-(3-piperazin-1-ylpropyl)hexan-1-amine
CID 135182222
N-pentyl-6-piperazin-1-ylhexan-1-amine
CID 54403619
1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1,4-diazepane
CID 104560345
N-(2-piperazin-1-ylethyl)octan-1-amine
CID 115568684
N-(2-piperazin-1-ylethyl)tetradecan-1-amine
CID 22706682
ethane;1-[2-(2-methoxyethoxy)ethyl]piperazine
CID 142390482
3-ethoxy-N-(2-piperazin-1-ylethyl)propan-1-amine
CID 139481440
ethane;3-methyl-N-[2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]ethyl]pentanamide;molecular hydrogen
CID 169215012
N-ethyl-3-piperazin-1-ylpropan-1-amine
CID 89107698
2-(2-pyrrolidin-1-ylethoxy)-N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]ethanamine
CID 118891597

Frequently Asked Questions

What is the IUPAC name of ethane;molecular hydrogen;N-[2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]ethyl]butan-1-amine?
The IUPAC name of ethane;molecular hydrogen;N-[2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]ethyl]butan-1-amine (CID 170584628) is ethane;molecular hydrogen;N-[2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]ethyl]butan-1-amine.
What is the SMILES notation for ethane;molecular hydrogen;N-[2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]ethyl]butan-1-amine?
The canonical SMILES for ethane;molecular hydrogen;N-[2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]ethyl]butan-1-amine is CC.CCCCNCCOCCOCCOCCN1CCNCC1.[H][H].
What is the InChIKey of ethane;molecular hydrogen;N-[2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]ethyl]butan-1-amine?
The InChIKey is WPGLSCVJHBJAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3O3.C2H6.H2/c1-2-3-4-17-7-11-20-13-15-22-16-14-21-12-10-19-8-5-18-6-9-19;1-2;/h17-18H,2-16H2,1H3;1-2H3;1H.
What are the key properties of ethane;molecular hydrogen;N-[2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]ethyl]butan-1-amine?
ethane;molecular hydrogen;N-[2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]ethyl]butan-1-amine has a molecular weight of 349.56 g/mol, XLogP of 1.60, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;molecular hydrogen;N-[2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]ethyl]butan-1-amine is sourced from PubChem (CID 170584628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).