(2S)-2-[2-[[(2S)-1-hydroxybutan-2-yl]amino]ethylamino]butan-1-ol

C10H24N2O2 — CID 14052

💊View drug profile → ethambutol
IUPAC(2S)-2-[2-[[(2S)-1-hydroxybutan-2-yl]amino]ethylamino]butan-1-ol
SMILESCC[C@@H](CO)NCCN[C@@H](CC)CO
InChIInChI=1S/C10H24N2O2/c1-3-9(7-13)11-5-6-12-10(4-2)8-14/h9-14H,3-8H2,1-2H3/t9-,10-/m0/s1
InChIKeyAEUTYOVWOVBAKS-UWVGGRQHSA-N
MW204.31 g/mol
LogP-0.29
Rot. Bonds9

About (2S)-2-[2-[[(2S)-1-hydroxybutan-2-yl]amino]ethylamino]butan-1-ol

(2S)-2-[2-[[(2S)-1-hydroxybutan-2-yl]amino]ethylamino]butan-1-ol (PubChem CID 14052) has the molecular formula C10H24N2O2 and a molecular weight of 204.31 g/mol. Its IUPAC name is (2S)-2-[2-[[(2S)-1-hydroxybutan-2-yl]amino]ethylamino]butan-1-ol.

Molecular Properties

Compound Name(2S)-2-[2-[[(2S)-1-hydroxybutan-2-yl]amino]ethylamino]butan-1-ol
PubChem CID14052
Molecular FormulaC10H24N2O2
Molecular Weight204.31 g/mol
Exact Mass204.18
IUPAC Name(2S)-2-[2-[[(2S)-1-hydroxybutan-2-yl]amino]ethylamino]butan-1-ol
SMILESCC[C@@H](CO)NCCN[C@@H](CC)CO
InChIInChI=1S/C10H24N2O2/c1-3-9(7-13)11-5-6-12-10(4-2)8-14/h9-14H,3-8H2,1-2H3/t9-,10-/m0/s1
InChIKeyAEUTYOVWOVBAKS-UWVGGRQHSA-N
XLogP-0.29
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 5-0.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-2-[2-[[(2S)-1-hydroxybutan-2-yl]amino]ethylamino]butan-1-ol with MolForge

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Related Compounds

Ethambutol Hydrochloride
CID 14051
(2R)-2-[(2-{[(2R)-1-Hdroxybutan-2-yl]amino}ethyl)amino]butan-1-ol dihydrochloride
CID 3279
Ethambutol, meso-
CID 470072
Ethambutol, (R,R)-
CID 470071
N1-(1,1-Dimethyl-2-hydroxyethyl)-2-methyl-1,2-propanediamine
CID 226842
(2R,2'R)-2,2'-(ethane-1,2-diylbis(azanediyl))bis(butan-1-ol) hydrochloride
CID 6852402
2-Propanol, 1,1'-(1,2-ethanediyldiimino)bis-
CID 102964
(2S)-2-[(2-{[(1S)-2-hydroxy-1-(methylethyl)ethyl]amino}ethyl)amino]-3-methylbutan-1-ol
CID 486264
(2S)-2-((2-(((2S)-1-Hydroxypropan-2-yl)amino)ethyl)amino)butan-1-ol
CID 9990101
2-[2-[(2-Hydroxy-1,1-dimethyl-ethyl)amino]ethylamino]-2-methyl-propan-1-ol
CID 225578
2,2'-(Ethylenediimino)dibutanol dihydrochloride
CID 470087
(2S)-2-[2-[[(2S)-1-hydroxybutan-2-yl]amino]ethylamino]butan-1-ol;hydrochloride
CID 16051971

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-[[(2S)-1-hydroxybutan-2-yl]amino]ethylamino]butan-1-ol?
The IUPAC name of (2S)-2-[2-[[(2S)-1-hydroxybutan-2-yl]amino]ethylamino]butan-1-ol (CID 14052) is (2S)-2-[2-[[(2S)-1-hydroxybutan-2-yl]amino]ethylamino]butan-1-ol.
What is the SMILES notation for (2S)-2-[2-[[(2S)-1-hydroxybutan-2-yl]amino]ethylamino]butan-1-ol?
The canonical SMILES for (2S)-2-[2-[[(2S)-1-hydroxybutan-2-yl]amino]ethylamino]butan-1-ol is CC[C@@H](CO)NCCN[C@@H](CC)CO.
What is the InChIKey of (2S)-2-[2-[[(2S)-1-hydroxybutan-2-yl]amino]ethylamino]butan-1-ol?
The InChIKey is AEUTYOVWOVBAKS-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H24N2O2/c1-3-9(7-13)11-5-6-12-10(4-2)8-14/h9-14H,3-8H2,1-2H3/t9-,10-/m0/s1.
What are the key properties of (2S)-2-[2-[[(2S)-1-hydroxybutan-2-yl]amino]ethylamino]butan-1-ol?
(2S)-2-[2-[[(2S)-1-hydroxybutan-2-yl]amino]ethylamino]butan-1-ol has a molecular weight of 204.31 g/mol, XLogP of -0.29, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-[[(2S)-1-hydroxybutan-2-yl]amino]ethylamino]butan-1-ol is sourced from PubChem (CID 14052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).