4-methoxy-2-(pyrrolidin-1-ylmethyl)butan-1-amine

C10H22N2O — CID 117236815

IUPAC4-methoxy-2-(pyrrolidin-1-ylmethyl)butan-1-amine
SMILESCOCCC(CN)CN1CCCC1
InChIInChI=1S/C10H22N2O/c1-13-7-4-10(8-11)9-12-5-2-3-6-12/h10H,2-9,11H2,1H3
InChIKeyWJYFPGJZXOFKCW-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.69
Rot. Bonds6

About 4-methoxy-2-(pyrrolidin-1-ylmethyl)butan-1-amine

4-methoxy-2-(pyrrolidin-1-ylmethyl)butan-1-amine (PubChem CID 117236815) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 4-methoxy-2-(pyrrolidin-1-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name4-methoxy-2-(pyrrolidin-1-ylmethyl)butan-1-amine
PubChem CID117236815
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name4-methoxy-2-(pyrrolidin-1-ylmethyl)butan-1-amine
SMILESCOCCC(CN)CN1CCCC1
InChIInChI=1S/C10H22N2O/c1-13-7-4-10(8-11)9-12-5-2-3-6-12/h10H,2-9,11H2,1H3
InChIKeyWJYFPGJZXOFKCW-UHFFFAOYSA-N
XLogP0.69
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(pyrrolidin-1-ylmethyl)butan-1-amine?
The IUPAC name of 4-methoxy-2-(pyrrolidin-1-ylmethyl)butan-1-amine (CID 117236815) is 4-methoxy-2-(pyrrolidin-1-ylmethyl)butan-1-amine.
What is the SMILES notation for 4-methoxy-2-(pyrrolidin-1-ylmethyl)butan-1-amine?
The canonical SMILES for 4-methoxy-2-(pyrrolidin-1-ylmethyl)butan-1-amine is COCCC(CN)CN1CCCC1.
What is the InChIKey of 4-methoxy-2-(pyrrolidin-1-ylmethyl)butan-1-amine?
The InChIKey is WJYFPGJZXOFKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-13-7-4-10(8-11)9-12-5-2-3-6-12/h10H,2-9,11H2,1H3.
What are the key properties of 4-methoxy-2-(pyrrolidin-1-ylmethyl)butan-1-amine?
4-methoxy-2-(pyrrolidin-1-ylmethyl)butan-1-amine has a molecular weight of 186.30 g/mol, XLogP of 0.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(pyrrolidin-1-ylmethyl)butan-1-amine is sourced from PubChem (CID 117236815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).