1-[2-(cyclopropylmethoxy)ethylamino]-3-(2-ethoxyethoxy)propan-2-ol

C13H27NO4 — CID 114097862

IUPAC1-[2-(cyclopropylmethoxy)ethylamino]-3-(2-ethoxyethoxy)propan-2-ol
SMILESCCOCCOCC(O)CNCCOCC1CC1
InChIInChI=1S/C13H27NO4/c1-2-16-7-8-18-11-13(15)9-14-5-6-17-10-12-3-4-12/h12-15H,2-11H2,1H3
InChIKeySXQPAXREQLKPIE-UHFFFAOYSA-N
MW261.36 g/mol
LogP0.42
Rot. Bonds13

About 1-[2-(cyclopropylmethoxy)ethylamino]-3-(2-ethoxyethoxy)propan-2-ol

1-[2-(cyclopropylmethoxy)ethylamino]-3-(2-ethoxyethoxy)propan-2-ol (PubChem CID 114097862) has the molecular formula C13H27NO4 and a molecular weight of 261.36 g/mol. Its IUPAC name is 1-[2-(cyclopropylmethoxy)ethylamino]-3-(2-ethoxyethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[2-(cyclopropylmethoxy)ethylamino]-3-(2-ethoxyethoxy)propan-2-ol
PubChem CID114097862
Molecular FormulaC13H27NO4
Molecular Weight261.36 g/mol
Exact Mass261.19
IUPAC Name1-[2-(cyclopropylmethoxy)ethylamino]-3-(2-ethoxyethoxy)propan-2-ol
SMILESCCOCCOCC(O)CNCCOCC1CC1
InChIInChI=1S/C13H27NO4/c1-2-16-7-8-18-11-13(15)9-14-5-6-17-10-12-3-4-12/h12-15H,2-11H2,1H3
InChIKeySXQPAXREQLKPIE-UHFFFAOYSA-N
XLogP0.42
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclopropylmethoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 60633025
1-(2-ethoxyethoxy)-3-(2-methylsulfanylethylamino)propan-2-ol
CID 63965990
1-cyclopentyloxy-3-(2-ethoxyethylamino)propan-2-ol
CID 60909932
1-(2-aminoethylamino)-3-(2-ethoxyethoxy)propan-2-ol
CID 62141108
1-(2-butoxyethoxy)-3-(2-butoxyethylamino)propan-2-ol
CID 61171086
1-(2-cyclopropylpropylamino)-3-(2-ethoxyethoxy)propan-2-ol
CID 113226892
1-(2-ethoxyethoxy)-3-(pentylamino)propan-2-ol
CID 60632874
3-[[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]methyl]cyclobutan-1-ol
CID 66005279
1-(cyclohexylmethoxy)-3-(propylamino)propan-2-ol
CID 62382060
1-ethoxy-3-[(4-ethylcyclohexyl)methylamino]propan-2-ol
CID 63931930
N-[2-(cyclopropylmethoxy)ethyl]-2-methylbutan-1-amine
CID 103897079
1-(3-ethoxypropylamino)-3-octoxypropan-2-ol
CID 60634251

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopropylmethoxy)ethylamino]-3-(2-ethoxyethoxy)propan-2-ol?
The IUPAC name of 1-[2-(cyclopropylmethoxy)ethylamino]-3-(2-ethoxyethoxy)propan-2-ol (CID 114097862) is 1-[2-(cyclopropylmethoxy)ethylamino]-3-(2-ethoxyethoxy)propan-2-ol.
What is the SMILES notation for 1-[2-(cyclopropylmethoxy)ethylamino]-3-(2-ethoxyethoxy)propan-2-ol?
The canonical SMILES for 1-[2-(cyclopropylmethoxy)ethylamino]-3-(2-ethoxyethoxy)propan-2-ol is CCOCCOCC(O)CNCCOCC1CC1.
What is the InChIKey of 1-[2-(cyclopropylmethoxy)ethylamino]-3-(2-ethoxyethoxy)propan-2-ol?
The InChIKey is SXQPAXREQLKPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO4/c1-2-16-7-8-18-11-13(15)9-14-5-6-17-10-12-3-4-12/h12-15H,2-11H2,1H3.
What are the key properties of 1-[2-(cyclopropylmethoxy)ethylamino]-3-(2-ethoxyethoxy)propan-2-ol?
1-[2-(cyclopropylmethoxy)ethylamino]-3-(2-ethoxyethoxy)propan-2-ol has a molecular weight of 261.36 g/mol, XLogP of 0.42, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopropylmethoxy)ethylamino]-3-(2-ethoxyethoxy)propan-2-ol is sourced from PubChem (CID 114097862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).