pentane-1,5-diamine;3-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]propanal

C16H36N2O5S — CID 144761105

IUPACpentane-1,5-diamine;3-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]propanal
SMILESNCCCCCN.O=CCCOCCOCCOCCOCCS
InChIInChI=1S/C11H22O5S.C5H14N2/c12-2-1-3-13-4-5-14-6-7-15-8-9-16-10-11-17;6-4-2-1-3-5-7/h2,17H,1,3-11H2;1-7H2
InChIKeyXVUACMQSRMICIM-UHFFFAOYSA-N
MW368.54 g/mol
LogP0.65
Rot. Bonds18

About pentane-1,5-diamine;3-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]propanal

pentane-1,5-diamine;3-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]propanal (PubChem CID 144761105) has the molecular formula C16H36N2O5S and a molecular weight of 368.54 g/mol. Its IUPAC name is pentane-1,5-diamine;3-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]propanal.

Molecular Properties

Compound Namepentane-1,5-diamine;3-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]propanal
PubChem CID144761105
Molecular FormulaC16H36N2O5S
Molecular Weight368.54 g/mol
Exact Mass368.23
IUPAC Namepentane-1,5-diamine;3-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]propanal
SMILESNCCCCCN.O=CCCOCCOCCOCCOCCS
InChIInChI=1S/C11H22O5S.C5H14N2/c12-2-1-3-13-4-5-14-6-7-15-8-9-16-10-11-17;6-4-2-1-3-5-7/h2,17H,1,3-11H2;1-7H2
InChIKeyXVUACMQSRMICIM-UHFFFAOYSA-N
XLogP0.65
TPSA106.03 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.54
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]propanal
CID 122674478
3-[2-[2-[2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal
CID 142541939
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal
CID 145435287
3-(5-sulfanylpentoxy)propanal
CID 177265933
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal
CID 129055846
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanethiol
CID 138393049
3-(2-aminoethoxy)propanal;ethane;molecular hydrogen
CID 177180522
2-[2-(2-sulfanylethoxy)ethoxy]ethanethiol
CID 159182397
4-but-3-enoxybutan-1-amine
CID 62443068
3-[2-(2-butoxyethoxy)ethoxy]propanal
CID 158726364
6-[2-(3-aminopropoxy)ethoxy]hexan-1-amine
CID 87252227
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal
CID 118348553

Frequently Asked Questions

What is the IUPAC name of pentane-1,5-diamine;3-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]propanal?
The IUPAC name of pentane-1,5-diamine;3-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]propanal (CID 144761105) is pentane-1,5-diamine;3-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]propanal.
What is the SMILES notation for pentane-1,5-diamine;3-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]propanal?
The canonical SMILES for pentane-1,5-diamine;3-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]propanal is NCCCCCN.O=CCCOCCOCCOCCOCCS.
What is the InChIKey of pentane-1,5-diamine;3-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]propanal?
The InChIKey is XVUACMQSRMICIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O5S.C5H14N2/c12-2-1-3-13-4-5-14-6-7-15-8-9-16-10-11-17;6-4-2-1-3-5-7/h2,17H,1,3-11H2;1-7H2.
What are the key properties of pentane-1,5-diamine;3-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]propanal?
pentane-1,5-diamine;3-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]propanal has a molecular weight of 368.54 g/mol, XLogP of 0.65, 18 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for pentane-1,5-diamine;3-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]propanal is sourced from PubChem (CID 144761105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).