5-[2-[1-(2-prop-2-ynoxyethoxy)propan-2-yloxy]ethoxy]pentan-1-amine

C15H29NO4 — CID 171638343

IUPAC5-[2-[1-(2-prop-2-ynoxyethoxy)propan-2-yloxy]ethoxy]pentan-1-amine
SMILESC#CCOCCOCC(C)OCCOCCCCCN
InChIInChI=1S/C15H29NO4/c1-3-8-17-10-11-19-14-15(2)20-13-12-18-9-6-4-5-7-16/h1,15H,4-14,16H2,2H3
InChIKeyPRNQZYDODAMPIG-UHFFFAOYSA-N
MW287.40 g/mol
LogP1.20
Rot. Bonds15

About 5-[2-[1-(2-prop-2-ynoxyethoxy)propan-2-yloxy]ethoxy]pentan-1-amine

5-[2-[1-(2-prop-2-ynoxyethoxy)propan-2-yloxy]ethoxy]pentan-1-amine (PubChem CID 171638343) has the molecular formula C15H29NO4 and a molecular weight of 287.40 g/mol. Its IUPAC name is 5-[2-[1-(2-prop-2-ynoxyethoxy)propan-2-yloxy]ethoxy]pentan-1-amine.

Molecular Properties

Compound Name5-[2-[1-(2-prop-2-ynoxyethoxy)propan-2-yloxy]ethoxy]pentan-1-amine
PubChem CID171638343
Molecular FormulaC15H29NO4
Molecular Weight287.40 g/mol
Exact Mass287.21
IUPAC Name5-[2-[1-(2-prop-2-ynoxyethoxy)propan-2-yloxy]ethoxy]pentan-1-amine
SMILESC#CCOCCOCC(C)OCCOCCCCCN
InChIInChI=1S/C15H29NO4/c1-3-8-17-10-11-19-14-15(2)20-13-12-18-9-6-4-5-7-16/h1,15H,4-14,16H2,2H3
InChIKeyPRNQZYDODAMPIG-UHFFFAOYSA-N
XLogP1.20
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-prop-2-ynoxybutan-1-amine
CID 126972070
3-prop-2-ynoxypropan-1-amine;hydrochloride
CID 154853238
3-(2-butan-2-yloxyethoxy)propan-1-amine
CID 88947745
ethane;2-(2-prop-2-ynoxyethoxy)ethanamine
CID 144801544
ethane;2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethanamine
CID 170719391
CID 172894425
CID 172894425
1-(2-hexoxypropoxy)hexane
CID 71353992
6-[2-(3-aminopropoxy)ethoxy]hexan-1-amine
CID 87252227
4-[2-(4-aminobutoxy)ethoxy]butan-1-amine
CID 87873641
11-(11-aminoundecoxy)undecan-1-amine
CID 19099845
1-(2-heptadecoxy-3-prop-2-ynoxypropoxy)heptadecane
CID 101354147
2-[2-[2-[2-[2-[2-[1-(1-hexadecoxypropan-2-yloxy)propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139597568

Frequently Asked Questions

What is the IUPAC name of 5-[2-[1-(2-prop-2-ynoxyethoxy)propan-2-yloxy]ethoxy]pentan-1-amine?
The IUPAC name of 5-[2-[1-(2-prop-2-ynoxyethoxy)propan-2-yloxy]ethoxy]pentan-1-amine (CID 171638343) is 5-[2-[1-(2-prop-2-ynoxyethoxy)propan-2-yloxy]ethoxy]pentan-1-amine.
What is the SMILES notation for 5-[2-[1-(2-prop-2-ynoxyethoxy)propan-2-yloxy]ethoxy]pentan-1-amine?
The canonical SMILES for 5-[2-[1-(2-prop-2-ynoxyethoxy)propan-2-yloxy]ethoxy]pentan-1-amine is C#CCOCCOCC(C)OCCOCCCCCN.
What is the InChIKey of 5-[2-[1-(2-prop-2-ynoxyethoxy)propan-2-yloxy]ethoxy]pentan-1-amine?
The InChIKey is PRNQZYDODAMPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO4/c1-3-8-17-10-11-19-14-15(2)20-13-12-18-9-6-4-5-7-16/h1,15H,4-14,16H2,2H3.
What are the key properties of 5-[2-[1-(2-prop-2-ynoxyethoxy)propan-2-yloxy]ethoxy]pentan-1-amine?
5-[2-[1-(2-prop-2-ynoxyethoxy)propan-2-yloxy]ethoxy]pentan-1-amine has a molecular weight of 287.40 g/mol, XLogP of 1.20, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[1-(2-prop-2-ynoxyethoxy)propan-2-yloxy]ethoxy]pentan-1-amine is sourced from PubChem (CID 171638343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).