4-(3-methoxypyrrolidin-1-yl)butan-1-amine

C9H20N2O — CID 69155262

IUPAC4-(3-methoxypyrrolidin-1-yl)butan-1-amine
SMILESCOC1CCN(CCCCN)C1
InChIInChI=1S/C9H20N2O/c1-12-9-4-7-11(8-9)6-3-2-5-10/h9H,2-8,10H2,1H3
InChIKeySPJWFYVPBBYORK-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.45
Rot. Bonds5

About 4-(3-methoxypyrrolidin-1-yl)butan-1-amine

4-(3-methoxypyrrolidin-1-yl)butan-1-amine (PubChem CID 69155262) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 4-(3-methoxypyrrolidin-1-yl)butan-1-amine.

Molecular Properties

Compound Name4-(3-methoxypyrrolidin-1-yl)butan-1-amine
PubChem CID69155262
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name4-(3-methoxypyrrolidin-1-yl)butan-1-amine
SMILESCOC1CCN(CCCCN)C1
InChIInChI=1S/C9H20N2O/c1-12-9-4-7-11(8-9)6-3-2-5-10/h9H,2-8,10H2,1H3
InChIKeySPJWFYVPBBYORK-UHFFFAOYSA-N
XLogP0.45
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(3-methoxypyrrolidin-1-yl)hexane-1-thiol
CID 103541634
6-(3-methoxypyrrolidin-1-yl)hexan-2-amine
CID 103532346
5-(3-methoxypyrrolidin-1-yl)pentan-2-amine
CID 103532229
7-[3-(methoxymethyl)pyrrolidin-1-yl]heptan-1-amine
CID 64599167
4-(3-methoxy-4-methylpiperidin-1-yl)butan-1-amine
CID 102956570
4-(3-methoxypyrrolidin-1-yl)butanoic acid
CID 103535134
methyl 4-(3-methoxypyrrolidin-1-yl)butanoate
CID 103535204
N-[6-(3-methoxypyrrolidin-1-yl)hexyl]cyclopropanamine
CID 103539769
5-(3-methoxypyrrolidin-1-yl)pentanehydrazide
CID 103540509
2-methoxy-4-(3-methoxypyrrolidin-1-yl)butan-1-amine
CID 103534710
1-(7-aminoheptyl)-N,N-dimethylpyrrolidin-3-amine
CID 63532634
methyl 1-(5-aminopentyl)piperidine-4-carboxylate
CID 63382770

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypyrrolidin-1-yl)butan-1-amine?
The IUPAC name of 4-(3-methoxypyrrolidin-1-yl)butan-1-amine (CID 69155262) is 4-(3-methoxypyrrolidin-1-yl)butan-1-amine.
What is the SMILES notation for 4-(3-methoxypyrrolidin-1-yl)butan-1-amine?
The canonical SMILES for 4-(3-methoxypyrrolidin-1-yl)butan-1-amine is COC1CCN(CCCCN)C1.
What is the InChIKey of 4-(3-methoxypyrrolidin-1-yl)butan-1-amine?
The InChIKey is SPJWFYVPBBYORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-12-9-4-7-11(8-9)6-3-2-5-10/h9H,2-8,10H2,1H3.
What are the key properties of 4-(3-methoxypyrrolidin-1-yl)butan-1-amine?
4-(3-methoxypyrrolidin-1-yl)butan-1-amine has a molecular weight of 172.27 g/mol, XLogP of 0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypyrrolidin-1-yl)butan-1-amine is sourced from PubChem (CID 69155262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).