3-(methylamino)-4-(2-methylpyrrolidin-1-yl)butan-1-ol

C10H22N2O — CID 64898588

IUPAC3-(methylamino)-4-(2-methylpyrrolidin-1-yl)butan-1-ol
SMILESCNC(CCO)CN1CCCC1C
InChIInChI=1S/C10H22N2O/c1-9-4-3-6-12(9)8-10(11-2)5-7-13/h9-11,13H,3-8H2,1-2H3
InChIKeyMFGZITZBDKVUFR-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.44
Rot. Bonds5

About 3-(methylamino)-4-(2-methylpyrrolidin-1-yl)butan-1-ol

3-(methylamino)-4-(2-methylpyrrolidin-1-yl)butan-1-ol (PubChem CID 64898588) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 3-(methylamino)-4-(2-methylpyrrolidin-1-yl)butan-1-ol.

Molecular Properties

Compound Name3-(methylamino)-4-(2-methylpyrrolidin-1-yl)butan-1-ol
PubChem CID64898588
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name3-(methylamino)-4-(2-methylpyrrolidin-1-yl)butan-1-ol
SMILESCNC(CCO)CN1CCCC1C
InChIInChI=1S/C10H22N2O/c1-9-4-3-6-12(9)8-10(11-2)5-7-13/h9-11,13H,3-8H2,1-2H3
InChIKeyMFGZITZBDKVUFR-UHFFFAOYSA-N
XLogP0.44
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-4-(2-methylpyrrolidin-1-yl)butan-1-ol?
The IUPAC name of 3-(methylamino)-4-(2-methylpyrrolidin-1-yl)butan-1-ol (CID 64898588) is 3-(methylamino)-4-(2-methylpyrrolidin-1-yl)butan-1-ol.
What is the SMILES notation for 3-(methylamino)-4-(2-methylpyrrolidin-1-yl)butan-1-ol?
The canonical SMILES for 3-(methylamino)-4-(2-methylpyrrolidin-1-yl)butan-1-ol is CNC(CCO)CN1CCCC1C.
What is the InChIKey of 3-(methylamino)-4-(2-methylpyrrolidin-1-yl)butan-1-ol?
The InChIKey is MFGZITZBDKVUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-9-4-3-6-12(9)8-10(11-2)5-7-13/h9-11,13H,3-8H2,1-2H3.
What are the key properties of 3-(methylamino)-4-(2-methylpyrrolidin-1-yl)butan-1-ol?
3-(methylamino)-4-(2-methylpyrrolidin-1-yl)butan-1-ol has a molecular weight of 186.30 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-4-(2-methylpyrrolidin-1-yl)butan-1-ol is sourced from PubChem (CID 64898588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).