(2R)-2-[2-(propylamino)ethylamino]butan-1-ol

C9H22N2O — CID 126512717

IUPAC(2R)-2-[2-(propylamino)ethylamino]butan-1-ol
SMILESCCCNCCN[C@H](CC)CO
InChIInChI=1S/C9H22N2O/c1-3-5-10-6-7-11-9(4-2)8-12/h9-12H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyLNDGPZLEBVYAOA-SECBINFHSA-N
MW174.29 g/mol
LogP0.35
Rot. Bonds8

About (2R)-2-[2-(propylamino)ethylamino]butan-1-ol

(2R)-2-[2-(propylamino)ethylamino]butan-1-ol (PubChem CID 126512717) has the molecular formula C9H22N2O and a molecular weight of 174.29 g/mol. Its IUPAC name is (2R)-2-[2-(propylamino)ethylamino]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[2-(propylamino)ethylamino]butan-1-ol
PubChem CID126512717
Molecular FormulaC9H22N2O
Molecular Weight174.29 g/mol
Exact Mass174.17
IUPAC Name(2R)-2-[2-(propylamino)ethylamino]butan-1-ol
SMILESCCCNCCN[C@H](CC)CO
InChIInChI=1S/C9H22N2O/c1-3-5-10-6-7-11-9(4-2)8-12/h9-12H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyLNDGPZLEBVYAOA-SECBINFHSA-N
XLogP0.35
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[2-[[(2S)-1-aminobutan-2-yl]amino]ethylamino]butan-1-ol
CID 101136942
(2S)-2-(pentylamino)butan-1-ol
CID 28724748
2-(decylamino)butan-1-ol
CID 60668820
(2S)-2-ethyl-5-[[(2R)-1-hydroxybutan-2-yl]amino]pentan-1-ol;dihydrochloride
CID 169424210
(2S)-2-(4-methylsulfanylbutylamino)butan-1-ol
CID 103088479
3-(1-hydroxybutan-2-ylamino)propanamide
CID 43389836
2-(4,4,4-trifluorobutylamino)butan-1-ol
CID 115513538
3-(diethylamino)-2-(propylamino)propan-1-ol
CID 64798637
2-[[(3S)-hexan-3-yl]amino]ethanol
CID 27254970
2-[[(3R)-hexan-3-yl]amino]ethanol
CID 27254966
2-(2,2-dimethylpropylamino)butan-1-ol
CID 61323905
2-(2-phenylethylamino)butan-1-ol
CID 17157372

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(propylamino)ethylamino]butan-1-ol?
The IUPAC name of (2R)-2-[2-(propylamino)ethylamino]butan-1-ol (CID 126512717) is (2R)-2-[2-(propylamino)ethylamino]butan-1-ol.
What is the SMILES notation for (2R)-2-[2-(propylamino)ethylamino]butan-1-ol?
The canonical SMILES for (2R)-2-[2-(propylamino)ethylamino]butan-1-ol is CCCNCCN[C@H](CC)CO.
What is the InChIKey of (2R)-2-[2-(propylamino)ethylamino]butan-1-ol?
The InChIKey is LNDGPZLEBVYAOA-SECBINFHSA-N. The full InChI is InChI=1S/C9H22N2O/c1-3-5-10-6-7-11-9(4-2)8-12/h9-12H,3-8H2,1-2H3/t9-/m1/s1.
What are the key properties of (2R)-2-[2-(propylamino)ethylamino]butan-1-ol?
(2R)-2-[2-(propylamino)ethylamino]butan-1-ol has a molecular weight of 174.29 g/mol, XLogP of 0.35, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(propylamino)ethylamino]butan-1-ol is sourced from PubChem (CID 126512717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).