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

C11H26N2O — CID 64899677

IUPAC3-(methylamino)-4-[methyl(pentan-3-yl)amino]butan-1-ol
SMILESCCC(CC)N(C)CC(CCO)NC
InChIInChI=1S/C11H26N2O/c1-5-11(6-2)13(4)9-10(12-3)7-8-14/h10-12,14H,5-9H2,1-4H3
InChIKeyOJVACQOODRNKAT-UHFFFAOYSA-N
MW202.34 g/mol
LogP1.08
Rot. Bonds8

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

3-(methylamino)-4-[methyl(pentan-3-yl)amino]butan-1-ol (PubChem CID 64899677) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is 3-(methylamino)-4-[methyl(pentan-3-yl)amino]butan-1-ol.

Molecular Properties

Compound Name3-(methylamino)-4-[methyl(pentan-3-yl)amino]butan-1-ol
PubChem CID64899677
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC Name3-(methylamino)-4-[methyl(pentan-3-yl)amino]butan-1-ol
SMILESCCC(CC)N(C)CC(CCO)NC
InChIInChI=1S/C11H26N2O/c1-5-11(6-2)13(4)9-10(12-3)7-8-14/h10-12,14H,5-9H2,1-4H3
InChIKeyOJVACQOODRNKAT-UHFFFAOYSA-N
XLogP1.08
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-4-[methyl(pentan-3-yl)amino]butan-1-ol?
The IUPAC name of 3-(methylamino)-4-[methyl(pentan-3-yl)amino]butan-1-ol (CID 64899677) is 3-(methylamino)-4-[methyl(pentan-3-yl)amino]butan-1-ol.
What is the SMILES notation for 3-(methylamino)-4-[methyl(pentan-3-yl)amino]butan-1-ol?
The canonical SMILES for 3-(methylamino)-4-[methyl(pentan-3-yl)amino]butan-1-ol is CCC(CC)N(C)CC(CCO)NC.
What is the InChIKey of 3-(methylamino)-4-[methyl(pentan-3-yl)amino]butan-1-ol?
The InChIKey is OJVACQOODRNKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O/c1-5-11(6-2)13(4)9-10(12-3)7-8-14/h10-12,14H,5-9H2,1-4H3.
What are the key properties of 3-(methylamino)-4-[methyl(pentan-3-yl)amino]butan-1-ol?
3-(methylamino)-4-[methyl(pentan-3-yl)amino]butan-1-ol has a molecular weight of 202.34 g/mol, XLogP of 1.08, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-4-[methyl(pentan-3-yl)amino]butan-1-ol is sourced from PubChem (CID 64899677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).