[1-(2,2-dimethylpropylamino)-3-ethylcyclobutyl]methanol

C12H25NO — CID 68762528

IUPAC[1-(2,2-dimethylpropylamino)-3-ethylcyclobutyl]methanol
SMILESCCC1CC(CO)(NCC(C)(C)C)C1
InChIInChI=1S/C12H25NO/c1-5-10-6-12(7-10,9-14)13-8-11(2,3)4/h10,13-14H,5-9H2,1-4H3
InChIKeyNDOJMZKYMBAPED-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.17
Rot. Bonds4

About [1-(2,2-dimethylpropylamino)-3-ethylcyclobutyl]methanol

[1-(2,2-dimethylpropylamino)-3-ethylcyclobutyl]methanol (PubChem CID 68762528) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is [1-(2,2-dimethylpropylamino)-3-ethylcyclobutyl]methanol.

Molecular Properties

Compound Name[1-(2,2-dimethylpropylamino)-3-ethylcyclobutyl]methanol
PubChem CID68762528
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name[1-(2,2-dimethylpropylamino)-3-ethylcyclobutyl]methanol
SMILESCCC1CC(CO)(NCC(C)(C)C)C1
InChIInChI=1S/C12H25NO/c1-5-10-6-12(7-10,9-14)13-8-11(2,3)4/h10,13-14H,5-9H2,1-4H3
InChIKeyNDOJMZKYMBAPED-UHFFFAOYSA-N
XLogP2.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(2,2-dimethylpropylamino)-3-ethylcyclobutyl]methanol?
The IUPAC name of [1-(2,2-dimethylpropylamino)-3-ethylcyclobutyl]methanol (CID 68762528) is [1-(2,2-dimethylpropylamino)-3-ethylcyclobutyl]methanol.
What is the SMILES notation for [1-(2,2-dimethylpropylamino)-3-ethylcyclobutyl]methanol?
The canonical SMILES for [1-(2,2-dimethylpropylamino)-3-ethylcyclobutyl]methanol is CCC1CC(CO)(NCC(C)(C)C)C1.
What is the InChIKey of [1-(2,2-dimethylpropylamino)-3-ethylcyclobutyl]methanol?
The InChIKey is NDOJMZKYMBAPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-5-10-6-12(7-10,9-14)13-8-11(2,3)4/h10,13-14H,5-9H2,1-4H3.
What are the key properties of [1-(2,2-dimethylpropylamino)-3-ethylcyclobutyl]methanol?
[1-(2,2-dimethylpropylamino)-3-ethylcyclobutyl]methanol has a molecular weight of 199.34 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2-dimethylpropylamino)-3-ethylcyclobutyl]methanol is sourced from PubChem (CID 68762528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).