4,4-dimethyl-1-(3-methyloxolan-2-yl)pentan-1-amine

C12H25NO — CID 115850240

IUPAC4,4-dimethyl-1-(3-methyloxolan-2-yl)pentan-1-amine
SMILESCC1CCOC1C(N)CCC(C)(C)C
InChIInChI=1S/C12H25NO/c1-9-6-8-14-11(9)10(13)5-7-12(2,3)4/h9-11H,5-8,13H2,1-4H3
InChIKeyMLOCWFJTCFGWDQ-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.57
Rot. Bonds3

About 4,4-dimethyl-1-(3-methyloxolan-2-yl)pentan-1-amine

4,4-dimethyl-1-(3-methyloxolan-2-yl)pentan-1-amine (PubChem CID 115850240) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 4,4-dimethyl-1-(3-methyloxolan-2-yl)pentan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-1-(3-methyloxolan-2-yl)pentan-1-amine
PubChem CID115850240
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name4,4-dimethyl-1-(3-methyloxolan-2-yl)pentan-1-amine
SMILESCC1CCOC1C(N)CCC(C)(C)C
InChIInChI=1S/C12H25NO/c1-9-6-8-14-11(9)10(13)5-7-12(2,3)4/h9-11H,5-8,13H2,1-4H3
InChIKeyMLOCWFJTCFGWDQ-UHFFFAOYSA-N
XLogP2.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(3-methyloxolan-2-yl)pentan-1-amine?
The IUPAC name of 4,4-dimethyl-1-(3-methyloxolan-2-yl)pentan-1-amine (CID 115850240) is 4,4-dimethyl-1-(3-methyloxolan-2-yl)pentan-1-amine.
What is the SMILES notation for 4,4-dimethyl-1-(3-methyloxolan-2-yl)pentan-1-amine?
The canonical SMILES for 4,4-dimethyl-1-(3-methyloxolan-2-yl)pentan-1-amine is CC1CCOC1C(N)CCC(C)(C)C.
What is the InChIKey of 4,4-dimethyl-1-(3-methyloxolan-2-yl)pentan-1-amine?
The InChIKey is MLOCWFJTCFGWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-9-6-8-14-11(9)10(13)5-7-12(2,3)4/h9-11H,5-8,13H2,1-4H3.
What are the key properties of 4,4-dimethyl-1-(3-methyloxolan-2-yl)pentan-1-amine?
4,4-dimethyl-1-(3-methyloxolan-2-yl)pentan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(3-methyloxolan-2-yl)pentan-1-amine is sourced from PubChem (CID 115850240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).