3-methyl-1-(3-methyloxolan-2-yl)hexan-1-amine

C12H25NO — CID 115845754

IUPAC3-methyl-1-(3-methyloxolan-2-yl)hexan-1-amine
SMILESCCCC(C)CC(N)C1OCCC1C
InChIInChI=1S/C12H25NO/c1-4-5-9(2)8-11(13)12-10(3)6-7-14-12/h9-12H,4-8,13H2,1-3H3
InChIKeyRXRKEXMHWHSTFM-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.57
Rot. Bonds5

About 3-methyl-1-(3-methyloxolan-2-yl)hexan-1-amine

3-methyl-1-(3-methyloxolan-2-yl)hexan-1-amine (PubChem CID 115845754) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 3-methyl-1-(3-methyloxolan-2-yl)hexan-1-amine.

Molecular Properties

Compound Name3-methyl-1-(3-methyloxolan-2-yl)hexan-1-amine
PubChem CID115845754
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name3-methyl-1-(3-methyloxolan-2-yl)hexan-1-amine
SMILESCCCC(C)CC(N)C1OCCC1C
InChIInChI=1S/C12H25NO/c1-4-5-9(2)8-11(13)12-10(3)6-7-14-12/h9-12H,4-8,13H2,1-3H3
InChIKeyRXRKEXMHWHSTFM-UHFFFAOYSA-N
XLogP2.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-(3-methyloxolan-2-yl)pentan-1-amine
CID 105028497
1-(3-methyloxolan-2-yl)butan-1-ol
CID 115780955
4,4-dimethyl-1-(3-methyloxolan-2-yl)pentan-1-amine
CID 115850240
N-ethyl-2-methyl-1-(3-methyloxolan-2-yl)pentan-1-amine
CID 107893426
2-cyclohexyl-1-(3-methyloxolan-2-yl)ethanamine
CID 115842269
1-(3-methyloxolan-2-yl)pentylhydrazine
CID 105293857
3-methyl-1-(3-methylcyclohexyl)hexan-1-amine
CID 63414986
2-(5-bromothiophen-2-yl)-1-(3-methyloxolan-2-yl)ethanamine
CID 115841332
[2-methyl-1-(3-methyloxolan-2-yl)butyl]hydrazine
CID 105325836
2-(4-chlorophenyl)-1-(3-methyloxolan-2-yl)ethanamine
CID 115784678
2-amino-2-[(3R)-3-methyloxolan-2-yl]acetaldehyde
CID 145378130
2-methyl-1-(3-methyloxolan-2-yl)-N-propylbutan-1-amine
CID 105017391

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-methyloxolan-2-yl)hexan-1-amine?
The IUPAC name of 3-methyl-1-(3-methyloxolan-2-yl)hexan-1-amine (CID 115845754) is 3-methyl-1-(3-methyloxolan-2-yl)hexan-1-amine.
What is the SMILES notation for 3-methyl-1-(3-methyloxolan-2-yl)hexan-1-amine?
The canonical SMILES for 3-methyl-1-(3-methyloxolan-2-yl)hexan-1-amine is CCCC(C)CC(N)C1OCCC1C.
What is the InChIKey of 3-methyl-1-(3-methyloxolan-2-yl)hexan-1-amine?
The InChIKey is RXRKEXMHWHSTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-5-9(2)8-11(13)12-10(3)6-7-14-12/h9-12H,4-8,13H2,1-3H3.
What are the key properties of 3-methyl-1-(3-methyloxolan-2-yl)hexan-1-amine?
3-methyl-1-(3-methyloxolan-2-yl)hexan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-methyloxolan-2-yl)hexan-1-amine is sourced from PubChem (CID 115845754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).