2-[azetidin-3-yl(methyl)amino]-1,2-dimethylcyclopentan-1-ol

C11H22N2O — CID 130647203

IUPAC2-[azetidin-3-yl(methyl)amino]-1,2-dimethylcyclopentan-1-ol
SMILESCN(C1CNC1)C1(C)CCCC1(C)O
InChIInChI=1S/C11H22N2O/c1-10(5-4-6-11(10,2)14)13(3)9-7-12-8-9/h9,12,14H,4-8H2,1-3H3
InChIKeyNSKIZJGXVDAPJA-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.58
Rot. Bonds2

About 2-[azetidin-3-yl(methyl)amino]-1,2-dimethylcyclopentan-1-ol

2-[azetidin-3-yl(methyl)amino]-1,2-dimethylcyclopentan-1-ol (PubChem CID 130647203) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-[azetidin-3-yl(methyl)amino]-1,2-dimethylcyclopentan-1-ol.

Molecular Properties

Compound Name2-[azetidin-3-yl(methyl)amino]-1,2-dimethylcyclopentan-1-ol
PubChem CID130647203
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-[azetidin-3-yl(methyl)amino]-1,2-dimethylcyclopentan-1-ol
SMILESCN(C1CNC1)C1(C)CCCC1(C)O
InChIInChI=1S/C11H22N2O/c1-10(5-4-6-11(10,2)14)13(3)9-7-12-8-9/h9,12,14H,4-8H2,1-3H3
InChIKeyNSKIZJGXVDAPJA-UHFFFAOYSA-N
XLogP0.58
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[azetidin-3-yl(methyl)amino]-1,2-dimethylcyclopentan-1-ol?
The IUPAC name of 2-[azetidin-3-yl(methyl)amino]-1,2-dimethylcyclopentan-1-ol (CID 130647203) is 2-[azetidin-3-yl(methyl)amino]-1,2-dimethylcyclopentan-1-ol.
What is the SMILES notation for 2-[azetidin-3-yl(methyl)amino]-1,2-dimethylcyclopentan-1-ol?
The canonical SMILES for 2-[azetidin-3-yl(methyl)amino]-1,2-dimethylcyclopentan-1-ol is CN(C1CNC1)C1(C)CCCC1(C)O.
What is the InChIKey of 2-[azetidin-3-yl(methyl)amino]-1,2-dimethylcyclopentan-1-ol?
The InChIKey is NSKIZJGXVDAPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-10(5-4-6-11(10,2)14)13(3)9-7-12-8-9/h9,12,14H,4-8H2,1-3H3.
What are the key properties of 2-[azetidin-3-yl(methyl)amino]-1,2-dimethylcyclopentan-1-ol?
2-[azetidin-3-yl(methyl)amino]-1,2-dimethylcyclopentan-1-ol has a molecular weight of 198.31 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[azetidin-3-yl(methyl)amino]-1,2-dimethylcyclopentan-1-ol is sourced from PubChem (CID 130647203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).