1-(2-ethoxyethoxy)-3-(hexan-2-ylamino)propan-2-ol

C13H29NO3 — CID 62199472

IUPAC1-(2-ethoxyethoxy)-3-(hexan-2-ylamino)propan-2-ol
SMILESCCCCC(C)NCC(O)COCCOCC
InChIInChI=1S/C13H29NO3/c1-4-6-7-12(3)14-10-13(15)11-17-9-8-16-5-2/h12-15H,4-11H2,1-3H3
InChIKeyDNXLXNHVWFSELQ-UHFFFAOYSA-N
MW247.38 g/mol
LogP1.57
Rot. Bonds12

About 1-(2-ethoxyethoxy)-3-(hexan-2-ylamino)propan-2-ol

1-(2-ethoxyethoxy)-3-(hexan-2-ylamino)propan-2-ol (PubChem CID 62199472) has the molecular formula C13H29NO3 and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-(2-ethoxyethoxy)-3-(hexan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-ethoxyethoxy)-3-(hexan-2-ylamino)propan-2-ol
PubChem CID62199472
Molecular FormulaC13H29NO3
Molecular Weight247.38 g/mol
Exact Mass247.21
IUPAC Name1-(2-ethoxyethoxy)-3-(hexan-2-ylamino)propan-2-ol
SMILESCCCCC(C)NCC(O)COCCOCC
InChIInChI=1S/C13H29NO3/c1-4-6-7-12(3)14-10-13(15)11-17-9-8-16-5-2/h12-15H,4-11H2,1-3H3
InChIKeyDNXLXNHVWFSELQ-UHFFFAOYSA-N
XLogP1.57
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(hexan-2-ylamino)-3-methoxypropan-2-ol
CID 63929255
3-[(3-hexoxy-2-hydroxypropyl)amino]butan-1-ol
CID 83176581
1-(heptan-2-ylamino)-3-methoxypropan-2-ol
CID 63930489
1-(4-methoxybutan-2-ylamino)-3-octoxypropan-2-ol
CID 64603424
1-(2-ethylhexoxy)-3-(4-methoxybutan-2-ylamino)propan-2-ol
CID 64604441
1-(2-ethoxyethoxy)-3-(pentylamino)propan-2-ol
CID 60632874
1-(4-methylpentan-2-ylamino)-3-octoxypropan-2-ol
CID 60899891
1-(hexan-2-ylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 62200592
1-(but-3-yn-2-ylamino)-3-(2-ethoxyethoxy)propan-2-ol
CID 114416575
1-(1-hydroxyethylamino)-3-octadecoxypropan-2-ol
CID 137434475
1-butoxy-3-(2-methylpentan-3-ylamino)propan-2-ol
CID 107262665
1-butoxy-3-(3-methylpentan-2-ylamino)propan-2-ol
CID 107262659

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethoxy)-3-(hexan-2-ylamino)propan-2-ol?
The IUPAC name of 1-(2-ethoxyethoxy)-3-(hexan-2-ylamino)propan-2-ol (CID 62199472) is 1-(2-ethoxyethoxy)-3-(hexan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(2-ethoxyethoxy)-3-(hexan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(2-ethoxyethoxy)-3-(hexan-2-ylamino)propan-2-ol is CCCCC(C)NCC(O)COCCOCC.
What is the InChIKey of 1-(2-ethoxyethoxy)-3-(hexan-2-ylamino)propan-2-ol?
The InChIKey is DNXLXNHVWFSELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO3/c1-4-6-7-12(3)14-10-13(15)11-17-9-8-16-5-2/h12-15H,4-11H2,1-3H3.
What are the key properties of 1-(2-ethoxyethoxy)-3-(hexan-2-ylamino)propan-2-ol?
1-(2-ethoxyethoxy)-3-(hexan-2-ylamino)propan-2-ol has a molecular weight of 247.38 g/mol, XLogP of 1.57, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethoxy)-3-(hexan-2-ylamino)propan-2-ol is sourced from PubChem (CID 62199472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).