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

C10H25N3O — CID 101136942

IUPAC(2S)-2-[2-[[(2S)-1-aminobutan-2-yl]amino]ethylamino]butan-1-ol
SMILESCC[C@@H](CN)NCCN[C@@H](CC)CO
InChIInChI=1S/C10H25N3O/c1-3-9(7-11)12-5-6-13-10(4-2)8-14/h9-10,12-14H,3-8,11H2,1-2H3/t9-,10-/m0/s1
InChIKeySKBQWSXFUFBYCU-UWVGGRQHSA-N
MW203.33 g/mol
LogP-0.33
Rot. Bonds9

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

(2S)-2-[2-[[(2S)-1-aminobutan-2-yl]amino]ethylamino]butan-1-ol (PubChem CID 101136942) has the molecular formula C10H25N3O and a molecular weight of 203.33 g/mol. Its IUPAC name is (2S)-2-[2-[[(2S)-1-aminobutan-2-yl]amino]ethylamino]butan-1-ol.

Molecular Properties

Compound Name(2S)-2-[2-[[(2S)-1-aminobutan-2-yl]amino]ethylamino]butan-1-ol
PubChem CID101136942
Molecular FormulaC10H25N3O
Molecular Weight203.33 g/mol
Exact Mass203.20
IUPAC Name(2S)-2-[2-[[(2S)-1-aminobutan-2-yl]amino]ethylamino]butan-1-ol
SMILESCC[C@@H](CN)NCCN[C@@H](CC)CO
InChIInChI=1S/C10H25N3O/c1-3-9(7-11)12-5-6-13-10(4-2)8-14/h9-10,12-14H,3-8,11H2,1-2H3/t9-,10-/m0/s1
InChIKeySKBQWSXFUFBYCU-UWVGGRQHSA-N
XLogP-0.33
TPSA70.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 5-0.33
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-aminobutan-2-yl]amino]ethylamino]butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[2-(propylamino)ethylamino]butan-1-ol
CID 126512717
(2S)-2-(pentylamino)butan-1-ol
CID 28724748
3-(1-hydroxybutan-2-ylamino)propanamide
CID 43389836
2-(decylamino)butan-1-ol
CID 60668820
2,6-diaminohexanoic acid;(2S)-2-[2-[[(2S)-1-hydroxybutan-2-yl]amino]ethylamino]butan-1-ol
CID 87370763
(2S)-2-(4-methylsulfanylbutylamino)butan-1-ol
CID 103088479
2-(4,4,4-trifluorobutylamino)butan-1-ol
CID 115513538
(2S)-2-ethyl-5-[[(2R)-1-hydroxybutan-2-yl]amino]pentan-1-ol;dihydrochloride
CID 169424210
2-(2,2-dimethylpropylamino)butan-1-ol
CID 61323905
2-(2-phenylethylamino)butan-1-ol
CID 17157372
3-(1-hydroxybutan-2-ylamino)propane-1-sulfinate
CID 90922271
ethane-1,2-diol;2-(2-hydroxyethylamino)butan-1-ol;naphthalene
CID 67124964

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-[[(2S)-1-aminobutan-2-yl]amino]ethylamino]butan-1-ol?
The IUPAC name of (2S)-2-[2-[[(2S)-1-aminobutan-2-yl]amino]ethylamino]butan-1-ol (CID 101136942) is (2S)-2-[2-[[(2S)-1-aminobutan-2-yl]amino]ethylamino]butan-1-ol.
What is the SMILES notation for (2S)-2-[2-[[(2S)-1-aminobutan-2-yl]amino]ethylamino]butan-1-ol?
The canonical SMILES for (2S)-2-[2-[[(2S)-1-aminobutan-2-yl]amino]ethylamino]butan-1-ol is CC[C@@H](CN)NCCN[C@@H](CC)CO.
What is the InChIKey of (2S)-2-[2-[[(2S)-1-aminobutan-2-yl]amino]ethylamino]butan-1-ol?
The InChIKey is SKBQWSXFUFBYCU-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H25N3O/c1-3-9(7-11)12-5-6-13-10(4-2)8-14/h9-10,12-14H,3-8,11H2,1-2H3/t9-,10-/m0/s1.
What are the key properties of (2S)-2-[2-[[(2S)-1-aminobutan-2-yl]amino]ethylamino]butan-1-ol?
(2S)-2-[2-[[(2S)-1-aminobutan-2-yl]amino]ethylamino]butan-1-ol has a molecular weight of 203.33 g/mol, XLogP of -0.33, 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-aminobutan-2-yl]amino]ethylamino]butan-1-ol is sourced from PubChem (CID 101136942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).