1-(2-butoxyethoxy)-3-(3-ethylpentan-2-ylamino)propan-2-ol

C16H35NO3 — CID 63838472

IUPAC1-(2-butoxyethoxy)-3-(3-ethylpentan-2-ylamino)propan-2-ol
SMILESCCCCOCCOCC(O)CNC(C)C(CC)CC
InChIInChI=1S/C16H35NO3/c1-5-8-9-19-10-11-20-13-16(18)12-17-14(4)15(6-2)7-3/h14-18H,5-13H2,1-4H3
InChIKeyGCIWCGHRLXAQTH-UHFFFAOYSA-N
MW289.46 g/mol
LogP2.59
Rot. Bonds14

About 1-(2-butoxyethoxy)-3-(3-ethylpentan-2-ylamino)propan-2-ol

1-(2-butoxyethoxy)-3-(3-ethylpentan-2-ylamino)propan-2-ol (PubChem CID 63838472) has the molecular formula C16H35NO3 and a molecular weight of 289.46 g/mol. Its IUPAC name is 1-(2-butoxyethoxy)-3-(3-ethylpentan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-butoxyethoxy)-3-(3-ethylpentan-2-ylamino)propan-2-ol
PubChem CID63838472
Molecular FormulaC16H35NO3
Molecular Weight289.46 g/mol
Exact Mass289.26
IUPAC Name1-(2-butoxyethoxy)-3-(3-ethylpentan-2-ylamino)propan-2-ol
SMILESCCCCOCCOCC(O)CNC(C)C(CC)CC
InChIInChI=1S/C16H35NO3/c1-5-8-9-19-10-11-20-13-16(18)12-17-14(4)15(6-2)7-3/h14-18H,5-13H2,1-4H3
InChIKeyGCIWCGHRLXAQTH-UHFFFAOYSA-N
XLogP2.59
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 52.59
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-butoxy-3-(3-methylpentan-2-ylamino)propan-2-ol
CID 107262659
1-butoxy-3-(2-methylpentan-3-ylamino)propan-2-ol
CID 107262665
2-[[3-(2-butoxyethoxy)-2-hydroxypropyl]amino]-3-methylbutanamide
CID 103913986
2-[[3-(2-butoxyethoxy)-2-hydroxypropyl]amino]-N-ethylpropanamide
CID 61477156
(2R)-1-[2-(2-butoxyethoxy)ethoxy]-3-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-ol
CID 92518845
1-(2-butoxyethoxy)-3-(2-butoxyethylamino)propan-2-ol
CID 61171086
1-(1-hydroxyethylamino)-3-octadecoxypropan-2-ol
CID 137434475
1-(2-butoxyethoxy)-3-(1-pyrrolidin-1-ylpropan-2-ylamino)propan-2-ol
CID 61222081
(2R)-1-butoxybutan-2-ol
CID 27255938
1-(2-butoxyethoxy)-3-[[(1S)-1-pyridin-4-ylethyl]amino]propan-2-ol
CID 81395520
1-(2-butoxyethoxy)-4-[4-(2-butoxyethoxy)-3-hydroxybutoxy]butan-2-ol
CID 91607283
1-(2-ethoxyethoxy)-3-(hexan-2-ylamino)propan-2-ol
CID 62199472

Frequently Asked Questions

What is the IUPAC name of 1-(2-butoxyethoxy)-3-(3-ethylpentan-2-ylamino)propan-2-ol?
The IUPAC name of 1-(2-butoxyethoxy)-3-(3-ethylpentan-2-ylamino)propan-2-ol (CID 63838472) is 1-(2-butoxyethoxy)-3-(3-ethylpentan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(2-butoxyethoxy)-3-(3-ethylpentan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(2-butoxyethoxy)-3-(3-ethylpentan-2-ylamino)propan-2-ol is CCCCOCCOCC(O)CNC(C)C(CC)CC.
What is the InChIKey of 1-(2-butoxyethoxy)-3-(3-ethylpentan-2-ylamino)propan-2-ol?
The InChIKey is GCIWCGHRLXAQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO3/c1-5-8-9-19-10-11-20-13-16(18)12-17-14(4)15(6-2)7-3/h14-18H,5-13H2,1-4H3.
What are the key properties of 1-(2-butoxyethoxy)-3-(3-ethylpentan-2-ylamino)propan-2-ol?
1-(2-butoxyethoxy)-3-(3-ethylpentan-2-ylamino)propan-2-ol has a molecular weight of 289.46 g/mol, XLogP of 2.59, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butoxyethoxy)-3-(3-ethylpentan-2-ylamino)propan-2-ol is sourced from PubChem (CID 63838472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).