2-methyl-4-[2-(methylaminomethyl)pyrrolidin-1-yl]butan-2-ol

C11H24N2O — CID 115316873

IUPAC2-methyl-4-[2-(methylaminomethyl)pyrrolidin-1-yl]butan-2-ol
SMILESCNCC1CCCN1CCC(C)(C)O
InChIInChI=1S/C11H24N2O/c1-11(2,14)6-8-13-7-4-5-10(13)9-12-3/h10,12,14H,4-9H2,1-3H3
InChIKeyMQQQFVPZOJBEPN-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.83
Rot. Bonds5

About 2-methyl-4-[2-(methylaminomethyl)pyrrolidin-1-yl]butan-2-ol

2-methyl-4-[2-(methylaminomethyl)pyrrolidin-1-yl]butan-2-ol (PubChem CID 115316873) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 2-methyl-4-[2-(methylaminomethyl)pyrrolidin-1-yl]butan-2-ol.

Molecular Properties

Compound Name2-methyl-4-[2-(methylaminomethyl)pyrrolidin-1-yl]butan-2-ol
PubChem CID115316873
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name2-methyl-4-[2-(methylaminomethyl)pyrrolidin-1-yl]butan-2-ol
SMILESCNCC1CCCN1CCC(C)(C)O
InChIInChI=1S/C11H24N2O/c1-11(2,14)6-8-13-7-4-5-10(13)9-12-3/h10,12,14H,4-9H2,1-3H3
InChIKeyMQQQFVPZOJBEPN-UHFFFAOYSA-N
XLogP0.83
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-(methylaminomethyl)pyrrolidin-1-yl]butan-2-ol?
The IUPAC name of 2-methyl-4-[2-(methylaminomethyl)pyrrolidin-1-yl]butan-2-ol (CID 115316873) is 2-methyl-4-[2-(methylaminomethyl)pyrrolidin-1-yl]butan-2-ol.
What is the SMILES notation for 2-methyl-4-[2-(methylaminomethyl)pyrrolidin-1-yl]butan-2-ol?
The canonical SMILES for 2-methyl-4-[2-(methylaminomethyl)pyrrolidin-1-yl]butan-2-ol is CNCC1CCCN1CCC(C)(C)O.
What is the InChIKey of 2-methyl-4-[2-(methylaminomethyl)pyrrolidin-1-yl]butan-2-ol?
The InChIKey is MQQQFVPZOJBEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-11(2,14)6-8-13-7-4-5-10(13)9-12-3/h10,12,14H,4-9H2,1-3H3.
What are the key properties of 2-methyl-4-[2-(methylaminomethyl)pyrrolidin-1-yl]butan-2-ol?
2-methyl-4-[2-(methylaminomethyl)pyrrolidin-1-yl]butan-2-ol has a molecular weight of 200.33 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-(methylaminomethyl)pyrrolidin-1-yl]butan-2-ol is sourced from PubChem (CID 115316873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).