N,2,3-trimethyl-1-(oxan-3-yl)butan-1-amine

C12H25NO — CID 107139092

IUPACN,2,3-trimethyl-1-(oxan-3-yl)butan-1-amine
SMILESCNC(C1CCCOC1)C(C)C(C)C
InChIInChI=1S/C12H25NO/c1-9(2)10(3)12(13-4)11-6-5-7-14-8-11/h9-13H,5-8H2,1-4H3
InChIKeyRSOHNGOWGAFWSC-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.29
Rot. Bonds4

About N,2,3-trimethyl-1-(oxan-3-yl)butan-1-amine

N,2,3-trimethyl-1-(oxan-3-yl)butan-1-amine (PubChem CID 107139092) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N,2,3-trimethyl-1-(oxan-3-yl)butan-1-amine.

Molecular Properties

Compound NameN,2,3-trimethyl-1-(oxan-3-yl)butan-1-amine
PubChem CID107139092
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN,2,3-trimethyl-1-(oxan-3-yl)butan-1-amine
SMILESCNC(C1CCCOC1)C(C)C(C)C
InChIInChI=1S/C12H25NO/c1-9(2)10(3)12(13-4)11-6-5-7-14-8-11/h9-13H,5-8H2,1-4H3
InChIKeyRSOHNGOWGAFWSC-UHFFFAOYSA-N
XLogP2.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2,3-dimethyl-1-(oxan-3-yl)butyl]hydrazine
CID 107139917
2-methoxy-N-methyl-1-(oxan-3-yl)propan-1-amine
CID 107136651
1-cyclobutyl-N,2,3-trimethylbutan-1-amine
CID 105049433
N,2-dimethyl-1-(oxan-3-yl)pentan-1-amine
CID 107138713
ethane;3-propan-2-yloxane
CID 143985480
(1S)-1-[(3R)-oxan-3-yl]ethanamine
CID 96637700
4-methyl-3-(oxan-3-yl)pentan-2-ol
CID 107137352
(3R)-N-methyloxan-3-amine
CID 58327948
N,4,4-trimethyl-1-(oxan-3-yl)pentan-1-amine
CID 65332134
(1R)-1-[(3S)-oxan-3-yl]propan-1-amine
CID 96636720
N-[2,2-difluoro-1-(oxan-3-yl)ethyl]propan-1-amine
CID 80604878
bis(oxan-3-yl)methanamine
CID 107136437

Frequently Asked Questions

What is the IUPAC name of N,2,3-trimethyl-1-(oxan-3-yl)butan-1-amine?
The IUPAC name of N,2,3-trimethyl-1-(oxan-3-yl)butan-1-amine (CID 107139092) is N,2,3-trimethyl-1-(oxan-3-yl)butan-1-amine.
What is the SMILES notation for N,2,3-trimethyl-1-(oxan-3-yl)butan-1-amine?
The canonical SMILES for N,2,3-trimethyl-1-(oxan-3-yl)butan-1-amine is CNC(C1CCCOC1)C(C)C(C)C.
What is the InChIKey of N,2,3-trimethyl-1-(oxan-3-yl)butan-1-amine?
The InChIKey is RSOHNGOWGAFWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-9(2)10(3)12(13-4)11-6-5-7-14-8-11/h9-13H,5-8H2,1-4H3.
What are the key properties of N,2,3-trimethyl-1-(oxan-3-yl)butan-1-amine?
N,2,3-trimethyl-1-(oxan-3-yl)butan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,3-trimethyl-1-(oxan-3-yl)butan-1-amine is sourced from PubChem (CID 107139092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).