3-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclobutan-1-ol

C12H23NO — CID 103562049

IUPAC3-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclobutan-1-ol
SMILESCC(C)C1CC(NCC2CC(O)C2)C1
InChIInChI=1S/C12H23NO/c1-8(2)10-5-11(6-10)13-7-9-3-12(14)4-9/h8-14H,3-7H2,1-2H3
InChIKeyXOJAQYYYCXNNTA-UHFFFAOYSA-N
MW197.32 g/mol
LogP1.78
Rot. Bonds4

About 3-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclobutan-1-ol

3-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclobutan-1-ol (PubChem CID 103562049) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 3-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclobutan-1-ol
PubChem CID103562049
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name3-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclobutan-1-ol
SMILESCC(C)C1CC(NCC2CC(O)C2)C1
InChIInChI=1S/C12H23NO/c1-8(2)10-5-11(6-10)13-7-9-3-12(14)4-9/h8-14H,3-7H2,1-2H3
InChIKeyXOJAQYYYCXNNTA-UHFFFAOYSA-N
XLogP1.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclobutan-1-ol with MolForge

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Related Compounds

3-Propylaminomethyl-cyclobutanol
CID 65975742
3-[(Propan-2-ylamino)methyl]cyclobutan-1-ol
CID 65975743
3-[(Tert-butylamino)methyl]cyclobutan-1-ol
CID 65975745
3-[(2-Methylpropylamino)methyl]cyclobutan-1-ol
CID 65975746
[3-[Di(cyclobutyl)methylamino]cyclobutyl]methanol
CID 68761981
[3-[(1-Ethylcyclobutyl)methylamino]cyclobutyl]methanol
CID 68762928
2-butan-2-yl-N-methylcyclobutan-1-amine;propan-1-ol
CID 71071392
butan-1-ol;N,2-diethylcyclobutan-1-amine
CID 71071438
butan-1-ol;2-butan-2-yl-N-methylcyclobutan-1-amine
CID 71071492
butan-1-ol;N-methyl-2-propylcyclobutan-1-amine
CID 71071582
butan-1-ol;N-methyl-2-propan-2-ylcyclobutan-1-amine
CID 71071653
(3R)-3-(3-ethylhexan-2-ylamino)-4-methylpentan-2-ol
CID 88588680

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclobutan-1-ol (CID 103562049) is 3-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclobutan-1-ol is CC(C)C1CC(NCC2CC(O)C2)C1.
What is the InChIKey of 3-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclobutan-1-ol?
The InChIKey is XOJAQYYYCXNNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-8(2)10-5-11(6-10)13-7-9-3-12(14)4-9/h8-14H,3-7H2,1-2H3.
What are the key properties of 3-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclobutan-1-ol?
3-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclobutan-1-ol has a molecular weight of 197.32 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 103562049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).