1-(cyclopropylamino)-3-(2-ethylhexoxy)propan-2-ol

C14H29NO2 — CID 43090617

IUPAC1-(cyclopropylamino)-3-(2-ethylhexoxy)propan-2-ol
SMILESCCCCC(CC)COCC(O)CNC1CC1
InChIInChI=1S/C14H29NO2/c1-3-5-6-12(4-2)10-17-11-14(16)9-15-13-7-8-13/h12-16H,3-11H2,1-2H3
InChIKeyKIVIZHLAGHRACF-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.33
Rot. Bonds11

About 1-(cyclopropylamino)-3-(2-ethylhexoxy)propan-2-ol

1-(cyclopropylamino)-3-(2-ethylhexoxy)propan-2-ol (PubChem CID 43090617) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-(2-ethylhexoxy)propan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-(2-ethylhexoxy)propan-2-ol
PubChem CID43090617
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name1-(cyclopropylamino)-3-(2-ethylhexoxy)propan-2-ol
SMILESCCCCC(CC)COCC(O)CNC1CC1
InChIInChI=1S/C14H29NO2/c1-3-5-6-12(4-2)10-17-11-14(16)9-15-13-7-8-13/h12-16H,3-11H2,1-2H3
InChIKeyKIVIZHLAGHRACF-UHFFFAOYSA-N
XLogP2.33
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Tert-butylamino)-3-(1-cyclopropylethoxy)propan-2-ol
CID 44274622
1-(tert-Butylamino)-3-(dicyclopropylmethoxy)propan-2-ol
CID 21296271
1-(2-Ethylhexoxy)-3-(2,2,2-trifluoroethylamino)propan-2-ol
CID 60632637
1-(2-Ethylhexoxy)-3-(3,3,3-trifluoropropylamino)propan-2-ol
CID 63226874
3-[[3-(2-Ethylhexoxy)-2-hydroxypropyl]amino]-1,1,1-trifluoropropan-2-ol
CID 105644994
3-[[3-(2-Ethylhexoxy)-2-hydroxypropyl]amino]-1,1-difluoropropan-2-ol
CID 105645656
1-[2-(2,2-Difluoroethoxy)ethylamino]-3-(2-ethylhexoxy)propan-2-ol
CID 105910773
1-(4-Methylcyclohexyl)oxy-3-(4,4,4-trifluorobutan-2-ylamino)propan-2-ol
CID 105935461
1-(3-Methylcyclohexyl)oxy-3-(4,4,4-trifluorobutan-2-ylamino)propan-2-ol
CID 105935485
1-(2-Ethylhexoxy)-3-(4,4,4-trifluorobutan-2-ylamino)propan-2-ol
CID 105935682
1-(2-Methylcyclohexyl)oxy-3-(4,4,4-trifluorobutan-2-ylamino)propan-2-ol
CID 105935739
3-[[3-(2-Ethylhexoxy)-2-hydroxypropyl]amino]-2,2-difluoropropan-1-ol
CID 106176715

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-(2-ethylhexoxy)propan-2-ol?
The IUPAC name of 1-(cyclopropylamino)-3-(2-ethylhexoxy)propan-2-ol (CID 43090617) is 1-(cyclopropylamino)-3-(2-ethylhexoxy)propan-2-ol.
What is the SMILES notation for 1-(cyclopropylamino)-3-(2-ethylhexoxy)propan-2-ol?
The canonical SMILES for 1-(cyclopropylamino)-3-(2-ethylhexoxy)propan-2-ol is CCCCC(CC)COCC(O)CNC1CC1.
What is the InChIKey of 1-(cyclopropylamino)-3-(2-ethylhexoxy)propan-2-ol?
The InChIKey is KIVIZHLAGHRACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-3-5-6-12(4-2)10-17-11-14(16)9-15-13-7-8-13/h12-16H,3-11H2,1-2H3.
What are the key properties of 1-(cyclopropylamino)-3-(2-ethylhexoxy)propan-2-ol?
1-(cyclopropylamino)-3-(2-ethylhexoxy)propan-2-ol has a molecular weight of 243.39 g/mol, XLogP of 2.33, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-(2-ethylhexoxy)propan-2-ol is sourced from PubChem (CID 43090617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).