(2S)-2-[2-(butylamino)ethylamino]-3-methylbutan-1-ol

C11H26N2O — CID 165355432

IUPAC(2S)-2-[2-(butylamino)ethylamino]-3-methylbutan-1-ol
SMILESCCCCNCCN[C@H](CO)C(C)C
InChIInChI=1S/C11H26N2O/c1-4-5-6-12-7-8-13-11(9-14)10(2)3/h10-14H,4-9H2,1-3H3/t11-/m1/s1
InChIKeyFGWQPMAWBLISJW-LLVKDONJSA-N
MW202.34 g/mol
LogP0.98
Rot. Bonds9

About (2S)-2-[2-(butylamino)ethylamino]-3-methylbutan-1-ol

(2S)-2-[2-(butylamino)ethylamino]-3-methylbutan-1-ol (PubChem CID 165355432) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is (2S)-2-[2-(butylamino)ethylamino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-[2-(butylamino)ethylamino]-3-methylbutan-1-ol
PubChem CID165355432
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC Name(2S)-2-[2-(butylamino)ethylamino]-3-methylbutan-1-ol
SMILESCCCCNCCN[C@H](CO)C(C)C
InChIInChI=1S/C11H26N2O/c1-4-5-6-12-7-8-13-11(9-14)10(2)3/h10-14H,4-9H2,1-3H3/t11-/m1/s1
InChIKeyFGWQPMAWBLISJW-LLVKDONJSA-N
XLogP0.98
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 50.98
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)-3-methyl-2-(octylamino)butan-1-ol
CID 79248963
(2S)-3-methyl-2-(propylamino)butan-1-ol
CID 79254888
5-(butylamino)-2-methylpentan-1-ol
CID 106158336
N-butylbutan-1-amine;propan-1-ol
CID 174657089
2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-N-propylacetamide
CID 79250505
3-methyl-2-(2-propylsulfonylethylamino)butan-1-ol
CID 106723970
(2S)-2-(2-ethoxyethylamino)-3-methylbutan-1-ol
CID 79250143
N'-butyl-N-propylethane-1,2-diamine
CID 54806979
4-(icosylamino)-2-(nonadecylamino)butane-1,3-diol
CID 88682838
2-(4-methoxybutylamino)-3-methylbutan-1-ol
CID 104647484
4-methyl-3-(nonylamino)pentan-1-ol
CID 106349451
N-butylbutan-1-amine;hydrochloride
CID 3083954

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(butylamino)ethylamino]-3-methylbutan-1-ol?
The IUPAC name of (2S)-2-[2-(butylamino)ethylamino]-3-methylbutan-1-ol (CID 165355432) is (2S)-2-[2-(butylamino)ethylamino]-3-methylbutan-1-ol.
What is the SMILES notation for (2S)-2-[2-(butylamino)ethylamino]-3-methylbutan-1-ol?
The canonical SMILES for (2S)-2-[2-(butylamino)ethylamino]-3-methylbutan-1-ol is CCCCNCCN[C@H](CO)C(C)C.
What is the InChIKey of (2S)-2-[2-(butylamino)ethylamino]-3-methylbutan-1-ol?
The InChIKey is FGWQPMAWBLISJW-LLVKDONJSA-N. The full InChI is InChI=1S/C11H26N2O/c1-4-5-6-12-7-8-13-11(9-14)10(2)3/h10-14H,4-9H2,1-3H3/t11-/m1/s1.
What are the key properties of (2S)-2-[2-(butylamino)ethylamino]-3-methylbutan-1-ol?
(2S)-2-[2-(butylamino)ethylamino]-3-methylbutan-1-ol has a molecular weight of 202.34 g/mol, XLogP of 0.98, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(butylamino)ethylamino]-3-methylbutan-1-ol is sourced from PubChem (CID 165355432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).