4-[butan-2-yl(methyl)amino]-3-(methylamino)butan-1-ol

C10H24N2O — CID 64900542

IUPAC4-[butan-2-yl(methyl)amino]-3-(methylamino)butan-1-ol
SMILESCCC(C)N(C)CC(CCO)NC
InChIInChI=1S/C10H24N2O/c1-5-9(2)12(4)8-10(11-3)6-7-13/h9-11,13H,5-8H2,1-4H3
InChIKeyGVSVWQFCKKZJFP-UHFFFAOYSA-N
MW188.31 g/mol
LogP0.69
Rot. Bonds7

About 4-[butan-2-yl(methyl)amino]-3-(methylamino)butan-1-ol

4-[butan-2-yl(methyl)amino]-3-(methylamino)butan-1-ol (PubChem CID 64900542) has the molecular formula C10H24N2O and a molecular weight of 188.31 g/mol. Its IUPAC name is 4-[butan-2-yl(methyl)amino]-3-(methylamino)butan-1-ol.

Molecular Properties

Compound Name4-[butan-2-yl(methyl)amino]-3-(methylamino)butan-1-ol
PubChem CID64900542
Molecular FormulaC10H24N2O
Molecular Weight188.31 g/mol
Exact Mass188.19
IUPAC Name4-[butan-2-yl(methyl)amino]-3-(methylamino)butan-1-ol
SMILESCCC(C)N(C)CC(CCO)NC
InChIInChI=1S/C10H24N2O/c1-5-9(2)12(4)8-10(11-3)6-7-13/h9-11,13H,5-8H2,1-4H3
InChIKeyGVSVWQFCKKZJFP-UHFFFAOYSA-N
XLogP0.69
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[butan-2-yl(methyl)amino]-3-(methylamino)butan-1-ol?
The IUPAC name of 4-[butan-2-yl(methyl)amino]-3-(methylamino)butan-1-ol (CID 64900542) is 4-[butan-2-yl(methyl)amino]-3-(methylamino)butan-1-ol.
What is the SMILES notation for 4-[butan-2-yl(methyl)amino]-3-(methylamino)butan-1-ol?
The canonical SMILES for 4-[butan-2-yl(methyl)amino]-3-(methylamino)butan-1-ol is CCC(C)N(C)CC(CCO)NC.
What is the InChIKey of 4-[butan-2-yl(methyl)amino]-3-(methylamino)butan-1-ol?
The InChIKey is GVSVWQFCKKZJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O/c1-5-9(2)12(4)8-10(11-3)6-7-13/h9-11,13H,5-8H2,1-4H3.
What are the key properties of 4-[butan-2-yl(methyl)amino]-3-(methylamino)butan-1-ol?
4-[butan-2-yl(methyl)amino]-3-(methylamino)butan-1-ol has a molecular weight of 188.31 g/mol, XLogP of 0.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butan-2-yl(methyl)amino]-3-(methylamino)butan-1-ol is sourced from PubChem (CID 64900542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).