2-ethoxy-4-pyrrolidin-1-ylbutan-1-amine

C10H22N2O — CID 63072558

IUPAC2-ethoxy-4-pyrrolidin-1-ylbutan-1-amine
SMILESCCOC(CN)CCN1CCCC1
InChIInChI=1S/C10H22N2O/c1-2-13-10(9-11)5-8-12-6-3-4-7-12/h10H,2-9,11H2,1H3
InChIKeyOKQVLHVLSFDNCF-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.84
Rot. Bonds6

About 2-ethoxy-4-pyrrolidin-1-ylbutan-1-amine

2-ethoxy-4-pyrrolidin-1-ylbutan-1-amine (PubChem CID 63072558) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 2-ethoxy-4-pyrrolidin-1-ylbutan-1-amine.

Molecular Properties

Compound Name2-ethoxy-4-pyrrolidin-1-ylbutan-1-amine
PubChem CID63072558
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name2-ethoxy-4-pyrrolidin-1-ylbutan-1-amine
SMILESCCOC(CN)CCN1CCCC1
InChIInChI=1S/C10H22N2O/c1-2-13-10(9-11)5-8-12-6-3-4-7-12/h10H,2-9,11H2,1H3
InChIKeyOKQVLHVLSFDNCF-UHFFFAOYSA-N
XLogP0.84
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 ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-4-(4-propan-2-ylpiperazin-1-yl)butan-1-amine
CID 63069699
1-(4-amino-3-ethoxybutyl)-4-methylpiperidin-4-ol
CID 81097296
2-ethoxy-4-(2-methyl-1,4-oxazepan-4-yl)butan-1-amine
CID 63070656
2-ethoxy-4-(2-methylpiperidin-1-yl)butan-1-amine
CID 63069690
2-ethoxy-4-(2-propylpiperidin-1-yl)butan-1-amine
CID 83052818
4-(2,3-dimethylpiperidin-1-yl)-2-ethoxybutan-1-amine
CID 63069725
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-ethoxybutan-1-amine
CID 63070084
2-ethoxy-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 63070793
1-(4-amino-3-ethoxybutyl)pyrrolidine-2-carboxamide
CID 63072374
ethyl 1-(3-amino-2-ethoxypropyl)piperidine-3-carboxylate
CID 63383208
2-ethoxy-3-(1,4-oxazepan-4-yl)propan-1-amine
CID 63070059
3-methoxy-2-(2-piperidin-1-ylethoxy)propan-1-amine
CID 103228301

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-pyrrolidin-1-ylbutan-1-amine?
The IUPAC name of 2-ethoxy-4-pyrrolidin-1-ylbutan-1-amine (CID 63072558) is 2-ethoxy-4-pyrrolidin-1-ylbutan-1-amine.
What is the SMILES notation for 2-ethoxy-4-pyrrolidin-1-ylbutan-1-amine?
The canonical SMILES for 2-ethoxy-4-pyrrolidin-1-ylbutan-1-amine is CCOC(CN)CCN1CCCC1.
What is the InChIKey of 2-ethoxy-4-pyrrolidin-1-ylbutan-1-amine?
The InChIKey is OKQVLHVLSFDNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-2-13-10(9-11)5-8-12-6-3-4-7-12/h10H,2-9,11H2,1H3.
What are the key properties of 2-ethoxy-4-pyrrolidin-1-ylbutan-1-amine?
2-ethoxy-4-pyrrolidin-1-ylbutan-1-amine has a molecular weight of 186.30 g/mol, XLogP of 0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-pyrrolidin-1-ylbutan-1-amine is sourced from PubChem (CID 63072558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).