3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2,2-dimethylcyclobutan-1-ol

C12H21NO2 — CID 114629005

IUPAC3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)C(O)CC1NCC1CCC=CO1
InChIInChI=1S/C12H21NO2/c1-12(2)10(7-11(12)14)13-8-9-5-3-4-6-15-9/h4,6,9-11,13-14H,3,5,7-8H2,1-2H3
InChIKeyJBWRUOHBPQVNLB-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.43
Rot. Bonds3

About 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2,2-dimethylcyclobutan-1-ol

3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2,2-dimethylcyclobutan-1-ol (PubChem CID 114629005) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2,2-dimethylcyclobutan-1-ol
PubChem CID114629005
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)C(O)CC1NCC1CCC=CO1
InChIInChI=1S/C12H21NO2/c1-12(2)10(7-11(12)14)13-8-9-5-3-4-6-15-9/h4,6,9-11,13-14H,3,5,7-8H2,1-2H3
InChIKeyJBWRUOHBPQVNLB-UHFFFAOYSA-N
XLogP1.43
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-dimethylcyclopropan-1-amine
CID 62065291
2,2-dimethyl-3-(oxan-2-ylmethylamino)cyclobutan-1-ol
CID 112633915
3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-2,2-dimethylcyclobutan-1-ol
CID 107386057
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-methylcyclopentan-1-amine
CID 62064257
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)-2,2-dimethylcyclobutan-1-ol
CID 112634146
1-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-ethylthiourea
CID 130621427
3-(ethylamino)-2,2-dimethylcyclobutan-1-ol
CID 112633093
2,2-dimethyl-3-(piperidin-4-ylmethylamino)cyclobutan-1-ol
CID 114628965
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-fluoro-2-methylpropanamide
CID 130783856
2-(3,4-dihydro-2H-pyran-2-ylmethylamino)propan-1-ol
CID 62066153
2,2-dimethyl-3-[(3-methylcyclohexyl)methylamino]cyclobutan-1-ol
CID 115977507
3-[(4-tert-butylcyclohexyl)methylamino]-2,2-dimethylcyclobutan-1-ol
CID 114629186

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2,2-dimethylcyclobutan-1-ol (CID 114629005) is 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2,2-dimethylcyclobutan-1-ol is CC1(C)C(O)CC1NCC1CCC=CO1.
What is the InChIKey of 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2,2-dimethylcyclobutan-1-ol?
The InChIKey is JBWRUOHBPQVNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-12(2)10(7-11(12)14)13-8-9-5-3-4-6-15-9/h4,6,9-11,13-14H,3,5,7-8H2,1-2H3.
What are the key properties of 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2,2-dimethylcyclobutan-1-ol?
3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2,2-dimethylcyclobutan-1-ol has a molecular weight of 211.30 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 114629005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).