cyclobutyl(oxolan-3-yl)methanamine

C9H17NO — CID 64986324

IUPACcyclobutyl(oxolan-3-yl)methanamine
SMILESNC(C1CCC1)C1CCOC1
InChIInChI=1S/C9H17NO/c10-9(7-2-1-3-7)8-4-5-11-6-8/h7-9H,1-6,10H2
InChIKeyBLSQVGUJHULDJR-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.15
Rot. Bonds2

About cyclobutyl(oxolan-3-yl)methanamine

cyclobutyl(oxolan-3-yl)methanamine (PubChem CID 64986324) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is cyclobutyl(oxolan-3-yl)methanamine.

Molecular Properties

Compound Namecyclobutyl(oxolan-3-yl)methanamine
PubChem CID64986324
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Namecyclobutyl(oxolan-3-yl)methanamine
SMILESNC(C1CCC1)C1CCOC1
InChIInChI=1S/C9H17NO/c10-9(7-2-1-3-7)8-4-5-11-6-8/h7-9H,1-6,10H2
InChIKeyBLSQVGUJHULDJR-UHFFFAOYSA-N
XLogP1.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

bis(oxan-3-yl)methanamine
CID 107136437
oxan-3-yl(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79911423
2,3-dihydro-1H-inden-2-yl(oxolan-3-yl)methanamine
CID 65411493
(1R)-1-[(3S)-oxolan-3-yl]ethanamine
CID 95396571
oxan-4-yl-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 105147261
oxolan-3-yl-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 105147621
(2,2-dimethylcyclopentyl)-(oxolan-3-yl)methanamine
CID 107188775
2,3-dihydro-1H-inden-2-yl(oxan-3-yl)methanamine
CID 107136473
(1S)-1-[(3R)-oxan-3-yl]ethanamine
CID 96637700
cycloheptyl(cyclohexyl)methanamine
CID 65399873
(1S)-2,2-difluoro-1-(oxolan-3-yl)ethanamine;hydrochloride
CID 155821044
cyclohexyl(1,9-dioxaspiro[5.5]undecan-4-yl)methanamine
CID 79914524

Frequently Asked Questions

What is the IUPAC name of cyclobutyl(oxolan-3-yl)methanamine?
The IUPAC name of cyclobutyl(oxolan-3-yl)methanamine (CID 64986324) is cyclobutyl(oxolan-3-yl)methanamine.
What is the SMILES notation for cyclobutyl(oxolan-3-yl)methanamine?
The canonical SMILES for cyclobutyl(oxolan-3-yl)methanamine is NC(C1CCC1)C1CCOC1.
What is the InChIKey of cyclobutyl(oxolan-3-yl)methanamine?
The InChIKey is BLSQVGUJHULDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c10-9(7-2-1-3-7)8-4-5-11-6-8/h7-9H,1-6,10H2.
What are the key properties of cyclobutyl(oxolan-3-yl)methanamine?
cyclobutyl(oxolan-3-yl)methanamine has a molecular weight of 155.24 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl(oxolan-3-yl)methanamine is sourced from PubChem (CID 64986324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).