1-amino-3-(ethylamino)propan-2-ol

C5H14N2O — CID 20604769

IUPAC1-amino-3-(ethylamino)propan-2-ol
SMILESCCNCC(O)CN
InChIInChI=1S/C5H14N2O/c1-2-7-4-5(8)3-6/h5,7-8H,2-4,6H2,1H3
InChIKeyJZELTMQDHIZOHD-UHFFFAOYSA-N
MW118.18 g/mol
LogP-1.08
Rot. Bonds4

About 1-amino-3-(ethylamino)propan-2-ol

1-amino-3-(ethylamino)propan-2-ol (PubChem CID 20604769) has the molecular formula C5H14N2O and a molecular weight of 118.18 g/mol. Its IUPAC name is 1-amino-3-(ethylamino)propan-2-ol.

Molecular Properties

Compound Name1-amino-3-(ethylamino)propan-2-ol
PubChem CID20604769
Molecular FormulaC5H14N2O
Molecular Weight118.18 g/mol
Exact Mass118.11
IUPAC Name1-amino-3-(ethylamino)propan-2-ol
SMILESCCNCC(O)CN
InChIInChI=1S/C5H14N2O/c1-2-7-4-5(8)3-6/h5,7-8H,2-4,6H2,1H3
InChIKeyJZELTMQDHIZOHD-UHFFFAOYSA-N
XLogP-1.08
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(ethylamino)-3-fluoropropan-2-ol
CID 59154890
(2S)-1-(ethylamino)-3-[3-[[(2S)-3-(ethylamino)-2-hydroxypropyl]amino]propylamino]propan-2-ol
CID 10356108
1-amino-5-[[(2R)-5-amino-2,4-dihydroxypentyl]amino]pentane-2,4-diol
CID 88895259
(2S)-1-amino-5-[[(2S,4R)-5-amino-2,4-dihydroxypentyl]amino]pentane-2,4-diol
CID 88895260
1-(3-amino-2-hydroxypropyl)-3-ethylurea
CID 131223085
1-(ethylamino)hexan-2-ol
CID 54078804
(2R)-1-amino-3-hydrazinylpropan-2-ol
CID 143068415
1-amino-3-(5-methylhexylamino)propan-2-ol
CID 176836498
1-(ethylamino)octan-2-ol
CID 62774096
1-bromo-2-(ethylamino)ethanol
CID 151846776
1-amino-3-(tert-butylamino)propan-2-ol
CID 3016525
1,2-bis(ethylamino)ethanol
CID 130275854

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(ethylamino)propan-2-ol?
The IUPAC name of 1-amino-3-(ethylamino)propan-2-ol (CID 20604769) is 1-amino-3-(ethylamino)propan-2-ol.
What is the SMILES notation for 1-amino-3-(ethylamino)propan-2-ol?
The canonical SMILES for 1-amino-3-(ethylamino)propan-2-ol is CCNCC(O)CN.
What is the InChIKey of 1-amino-3-(ethylamino)propan-2-ol?
The InChIKey is JZELTMQDHIZOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O/c1-2-7-4-5(8)3-6/h5,7-8H,2-4,6H2,1H3.
What are the key properties of 1-amino-3-(ethylamino)propan-2-ol?
1-amino-3-(ethylamino)propan-2-ol has a molecular weight of 118.18 g/mol, XLogP of -1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(ethylamino)propan-2-ol is sourced from PubChem (CID 20604769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).