1-(3-aminocyclobutyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol

C11H23N3O — CID 80561965

IUPAC1-(3-aminocyclobutyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1C1CC(N)C1
InChIInChI=1S/C11H23N3O/c1-13(2)6-10-5-11(15)7-14(10)9-3-8(12)4-9/h8-11,15H,3-7,12H2,1-2H3
InChIKeyCLWFWBAHYUCLMY-UHFFFAOYSA-N
MW213.32 g/mol
LogP-0.53
Rot. Bonds3

About 1-(3-aminocyclobutyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol

1-(3-aminocyclobutyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol (PubChem CID 80561965) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-(3-aminocyclobutyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(3-aminocyclobutyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
PubChem CID80561965
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name1-(3-aminocyclobutyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1C1CC(N)C1
InChIInChI=1S/C11H23N3O/c1-13(2)6-10-5-11(15)7-14(10)9-3-8(12)4-9/h8-11,15H,3-7,12H2,1-2H3
InChIKeyCLWFWBAHYUCLMY-UHFFFAOYSA-N
XLogP-0.53
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminocyclobutyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The IUPAC name of 1-(3-aminocyclobutyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol (CID 80561965) is 1-(3-aminocyclobutyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-(3-aminocyclobutyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-(3-aminocyclobutyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol is CN(C)CC1CC(O)CN1C1CC(N)C1.
What is the InChIKey of 1-(3-aminocyclobutyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The InChIKey is CLWFWBAHYUCLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-13(2)6-10-5-11(15)7-14(10)9-3-8(12)4-9/h8-11,15H,3-7,12H2,1-2H3.
What are the key properties of 1-(3-aminocyclobutyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
1-(3-aminocyclobutyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol has a molecular weight of 213.32 g/mol, XLogP of -0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminocyclobutyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 80561965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).