1-[3-(ethylamino)-2,2-dimethylpropyl]pyrrolidin-3-ol

C11H24N2O — CID 62941368

IUPAC1-[3-(ethylamino)-2,2-dimethylpropyl]pyrrolidin-3-ol
SMILESCCNCC(C)(C)CN1CCC(O)C1
InChIInChI=1S/C11H24N2O/c1-4-12-8-11(2,3)9-13-6-5-10(14)7-13/h10,12,14H,4-9H2,1-3H3
InChIKeyLNBIHXUUKDTSEP-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.69
Rot. Bonds5

About 1-[3-(ethylamino)-2,2-dimethylpropyl]pyrrolidin-3-ol

1-[3-(ethylamino)-2,2-dimethylpropyl]pyrrolidin-3-ol (PubChem CID 62941368) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 1-[3-(ethylamino)-2,2-dimethylpropyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[3-(ethylamino)-2,2-dimethylpropyl]pyrrolidin-3-ol
PubChem CID62941368
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name1-[3-(ethylamino)-2,2-dimethylpropyl]pyrrolidin-3-ol
SMILESCCNCC(C)(C)CN1CCC(O)C1
InChIInChI=1S/C11H24N2O/c1-4-12-8-11(2,3)9-13-6-5-10(14)7-13/h10,12,14H,4-9H2,1-3H3
InChIKeyLNBIHXUUKDTSEP-UHFFFAOYSA-N
XLogP0.69
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 ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(ethylamino)-2,2-dimethylpropyl]pyrrolidin-3-ol?
The IUPAC name of 1-[3-(ethylamino)-2,2-dimethylpropyl]pyrrolidin-3-ol (CID 62941368) is 1-[3-(ethylamino)-2,2-dimethylpropyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[3-(ethylamino)-2,2-dimethylpropyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[3-(ethylamino)-2,2-dimethylpropyl]pyrrolidin-3-ol is CCNCC(C)(C)CN1CCC(O)C1.
What is the InChIKey of 1-[3-(ethylamino)-2,2-dimethylpropyl]pyrrolidin-3-ol?
The InChIKey is LNBIHXUUKDTSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-4-12-8-11(2,3)9-13-6-5-10(14)7-13/h10,12,14H,4-9H2,1-3H3.
What are the key properties of 1-[3-(ethylamino)-2,2-dimethylpropyl]pyrrolidin-3-ol?
1-[3-(ethylamino)-2,2-dimethylpropyl]pyrrolidin-3-ol has a molecular weight of 200.33 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(ethylamino)-2,2-dimethylpropyl]pyrrolidin-3-ol is sourced from PubChem (CID 62941368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).