2,2-dimethyl-3-[[(1S)-1-pyridin-3-ylethyl]amino]cyclobutan-1-ol

C13H20N2O — CID 103948496

IUPAC2,2-dimethyl-3-[[(1S)-1-pyridin-3-ylethyl]amino]cyclobutan-1-ol
SMILESC[C@H](NC1CC(O)C1(C)C)c1cccnc1
InChIInChI=1S/C13H20N2O/c1-9(10-5-4-6-14-8-10)15-11-7-12(16)13(11,2)3/h4-6,8-9,11-12,15-16H,7H2,1-3H3/t9-,11?,12?/m0/s1
InChIKeyRPXCAQPNEHUDEB-GCVQQVDUSA-N
MW220.32 g/mol
LogP1.89
Rot. Bonds3

About 2,2-dimethyl-3-[[(1S)-1-pyridin-3-ylethyl]amino]cyclobutan-1-ol

2,2-dimethyl-3-[[(1S)-1-pyridin-3-ylethyl]amino]cyclobutan-1-ol (PubChem CID 103948496) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2,2-dimethyl-3-[[(1S)-1-pyridin-3-ylethyl]amino]cyclobutan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[[(1S)-1-pyridin-3-ylethyl]amino]cyclobutan-1-ol
PubChem CID103948496
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2,2-dimethyl-3-[[(1S)-1-pyridin-3-ylethyl]amino]cyclobutan-1-ol
SMILESC[C@H](NC1CC(O)C1(C)C)c1cccnc1
InChIInChI=1S/C13H20N2O/c1-9(10-5-4-6-14-8-10)15-11-7-12(16)13(11,2)3/h4-6,8-9,11-12,15-16H,7H2,1-3H3/t9-,11?,12?/m0/s1
InChIKeyRPXCAQPNEHUDEB-GCVQQVDUSA-N
XLogP1.89
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-3-[[(1S)-1-pyridin-3-ylethyl]amino]cyclobutan-1-ol with MolForge

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Related Compounds

3-[1-(5-fluoro-3-pyridinyl)ethylamino]-2,2-dimethylcyclobutan-1-ol
CID 113372086
N-[(1S)-1-pyridin-3-ylethyl]cyclopropanamine
CID 26385082
2,2-dimethyl-3-[1-(1H-pyrazol-4-yl)ethylamino]cyclobutan-1-ol
CID 103952229
trans-(1S,2S)-2-(1-pyridin-3-ylethylamino)cyclopentan-1-ol
CID 102733105
2-[[(1S)-1-pyridin-3-ylethyl]amino]cyclohexan-1-ol
CID 81404938
3-ethoxy-2-ethyl-2-methyl-N-(1-pyridin-3-ylethyl)cyclobutan-1-amine
CID 65167752
2,2-dimethyl-N-(1-pyridin-3-ylethyl)-3,4-dihydrochromen-4-amine
CID 81139220
N-(1-pyridin-3-ylethyl)cyclododecanamine
CID 43079395
N-[(1S)-1-pyridin-3-ylethyl]cycloheptanamine
CID 28646604
N-[(1S)-1-pyridin-3-ylethyl]azetidin-3-amine
CID 81406806
3-N-[(1S)-1-pyridin-3-ylethyl]cyclopentane-1,3-diamine
CID 81406551
1,1-dioxo-4-[[(1S)-1-pyridin-3-ylethyl]amino]thiolan-3-ol
CID 81403977

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[[(1S)-1-pyridin-3-ylethyl]amino]cyclobutan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[[(1S)-1-pyridin-3-ylethyl]amino]cyclobutan-1-ol (CID 103948496) is 2,2-dimethyl-3-[[(1S)-1-pyridin-3-ylethyl]amino]cyclobutan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[[(1S)-1-pyridin-3-ylethyl]amino]cyclobutan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[[(1S)-1-pyridin-3-ylethyl]amino]cyclobutan-1-ol is C[C@H](NC1CC(O)C1(C)C)c1cccnc1.
What is the InChIKey of 2,2-dimethyl-3-[[(1S)-1-pyridin-3-ylethyl]amino]cyclobutan-1-ol?
The InChIKey is RPXCAQPNEHUDEB-GCVQQVDUSA-N. The full InChI is InChI=1S/C13H20N2O/c1-9(10-5-4-6-14-8-10)15-11-7-12(16)13(11,2)3/h4-6,8-9,11-12,15-16H,7H2,1-3H3/t9-,11?,12?/m0/s1.
What are the key properties of 2,2-dimethyl-3-[[(1S)-1-pyridin-3-ylethyl]amino]cyclobutan-1-ol?
2,2-dimethyl-3-[[(1S)-1-pyridin-3-ylethyl]amino]cyclobutan-1-ol has a molecular weight of 220.32 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[[(1S)-1-pyridin-3-ylethyl]amino]cyclobutan-1-ol is sourced from PubChem (CID 103948496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).