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

C5H14N2O — CID 142837227

IUPAC(2R)-2-amino-1-(ethylamino)propan-1-ol
SMILESCCNC(O)[C@@H](C)N
InChIInChI=1S/C5H14N2O/c1-3-7-5(8)4(2)6/h4-5,7-8H,3,6H2,1-2H3/t4-,5?/m1/s1
InChIKeyMSVVAQRDBNSSPP-CNZKWPKMSA-N
MW118.18 g/mol
LogP-0.74
Rot. Bonds3

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

(2R)-2-amino-1-(ethylamino)propan-1-ol (PubChem CID 142837227) has the molecular formula C5H14N2O and a molecular weight of 118.18 g/mol. Its IUPAC name is (2R)-2-amino-1-(ethylamino)propan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-1-(ethylamino)propan-1-ol
PubChem CID142837227
Molecular FormulaC5H14N2O
Molecular Weight118.18 g/mol
Exact Mass118.11
IUPAC Name(2R)-2-amino-1-(ethylamino)propan-1-ol
SMILESCCNC(O)[C@@H](C)N
InChIInChI=1S/C5H14N2O/c1-3-7-5(8)4(2)6/h4-5,7-8H,3,6H2,1-2H3/t4-,5?/m1/s1
InChIKeyMSVVAQRDBNSSPP-CNZKWPKMSA-N
XLogP-0.74
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-amino-1-(2,2-difluoroethylamino)propan-1-ol
CID 134269576
1-(ethylamino)propane-1,2,3-triol
CID 163812588
propan-2-amine;propane;propan-2-ol
CID 161404449
3-(ethylamino)butan-1-ol
CID 12636119
amino(ethylamino)methanethiol
CID 5257678
1-(ethylamino)ethanol;2-(ethylamino)ethanol
CID 157298760
(2S)-3-aminobutan-2-ol
CID 90804830
(2R)-3-aminobutan-2-ol
CID 141331265
1-(ethylamino)ethanol;2-[2-hydroxyethyl(methyl)amino]ethanol
CID 175145973
2-aminoethanol;2-(dimethylamino)ethanol;1-(ethylamino)ethanol
CID 88755673
5-(ethylamino)hexan-3-ol
CID 140740980
4-(aminomethyl)-2-(ethylamino)-5-methylhexan-3-ol
CID 107443108

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(ethylamino)propan-1-ol?
The IUPAC name of (2R)-2-amino-1-(ethylamino)propan-1-ol (CID 142837227) is (2R)-2-amino-1-(ethylamino)propan-1-ol.
What is the SMILES notation for (2R)-2-amino-1-(ethylamino)propan-1-ol?
The canonical SMILES for (2R)-2-amino-1-(ethylamino)propan-1-ol is CCNC(O)[C@@H](C)N.
What is the InChIKey of (2R)-2-amino-1-(ethylamino)propan-1-ol?
The InChIKey is MSVVAQRDBNSSPP-CNZKWPKMSA-N. The full InChI is InChI=1S/C5H14N2O/c1-3-7-5(8)4(2)6/h4-5,7-8H,3,6H2,1-2H3/t4-,5?/m1/s1.
What are the key properties of (2R)-2-amino-1-(ethylamino)propan-1-ol?
(2R)-2-amino-1-(ethylamino)propan-1-ol has a molecular weight of 118.18 g/mol, XLogP of -0.74, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-(ethylamino)propan-1-ol is sourced from PubChem (CID 142837227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).