3-methyl-1-(oxan-3-yl)butan-1-amine

C10H21NO — CID 65331695

IUPAC3-methyl-1-(oxan-3-yl)butan-1-amine
SMILESCC(C)CC(N)C1CCCOC1
InChIInChI=1S/C10H21NO/c1-8(2)6-10(11)9-4-3-5-12-7-9/h8-10H,3-7,11H2,1-2H3
InChIKeyGNJTWMNQTGRUDT-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.79
Rot. Bonds3

About 3-methyl-1-(oxan-3-yl)butan-1-amine

3-methyl-1-(oxan-3-yl)butan-1-amine (PubChem CID 65331695) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 3-methyl-1-(oxan-3-yl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-1-(oxan-3-yl)butan-1-amine
PubChem CID65331695
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name3-methyl-1-(oxan-3-yl)butan-1-amine
SMILESCC(C)CC(N)C1CCCOC1
InChIInChI=1S/C10H21NO/c1-8(2)6-10(11)9-4-3-5-12-7-9/h8-10H,3-7,11H2,1-2H3
InChIKeyGNJTWMNQTGRUDT-UHFFFAOYSA-N
XLogP1.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[(3S)-oxan-3-yl]propan-1-amine
CID 96636720
(1S)-1-[(3R)-oxan-3-yl]ethanamine
CID 96637700
1-(oxan-3-yl)-2-propan-2-ylsulfanylethanamine
CID 107136409
3-methyl-1-(oxan-4-yl)butan-1-amine
CID 63935057
bis(oxan-3-yl)methanamine
CID 107136437
3-methoxy-3-methyl-1-(oxan-3-yl)butan-1-amine
CID 107139106
1-(oxan-3-yl)heptan-1-amine
CID 65331908
ethane;3-propan-2-yloxane
CID 143985480
1-(oxan-3-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 65331960
4-(oxan-3-yl)pentan-2-ol
CID 107137854
4-amino-4-(oxan-3-yl)butanoic acid
CID 82602426
ethyl (2S)-2-amino-2-[(3R)-oxan-3-yl]acetate
CID 96668920

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(oxan-3-yl)butan-1-amine?
The IUPAC name of 3-methyl-1-(oxan-3-yl)butan-1-amine (CID 65331695) is 3-methyl-1-(oxan-3-yl)butan-1-amine.
What is the SMILES notation for 3-methyl-1-(oxan-3-yl)butan-1-amine?
The canonical SMILES for 3-methyl-1-(oxan-3-yl)butan-1-amine is CC(C)CC(N)C1CCCOC1.
What is the InChIKey of 3-methyl-1-(oxan-3-yl)butan-1-amine?
The InChIKey is GNJTWMNQTGRUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-8(2)6-10(11)9-4-3-5-12-7-9/h8-10H,3-7,11H2,1-2H3.
What are the key properties of 3-methyl-1-(oxan-3-yl)butan-1-amine?
3-methyl-1-(oxan-3-yl)butan-1-amine has a molecular weight of 171.28 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(oxan-3-yl)butan-1-amine is sourced from PubChem (CID 65331695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).