3,3-dimethyl-2-[(5-methyloxolan-2-yl)methyl]butan-1-amine

C12H25NO — CID 103138980

IUPAC3,3-dimethyl-2-[(5-methyloxolan-2-yl)methyl]butan-1-amine
SMILESCC1CCC(CC(CN)C(C)(C)C)O1
InChIInChI=1S/C12H25NO/c1-9-5-6-11(14-9)7-10(8-13)12(2,3)4/h9-11H,5-8,13H2,1-4H3
InChIKeyOEVWWRMUKYTDQT-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.57
Rot. Bonds3

About 3,3-dimethyl-2-[(5-methyloxolan-2-yl)methyl]butan-1-amine

3,3-dimethyl-2-[(5-methyloxolan-2-yl)methyl]butan-1-amine (PubChem CID 103138980) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 3,3-dimethyl-2-[(5-methyloxolan-2-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-2-[(5-methyloxolan-2-yl)methyl]butan-1-amine
PubChem CID103138980
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name3,3-dimethyl-2-[(5-methyloxolan-2-yl)methyl]butan-1-amine
SMILESCC1CCC(CC(CN)C(C)(C)C)O1
InChIInChI=1S/C12H25NO/c1-9-5-6-11(14-9)7-10(8-13)12(2,3)4/h9-11H,5-8,13H2,1-4H3
InChIKeyOEVWWRMUKYTDQT-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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Related Compounds

N-(2-methoxyethyl)-3,3-dimethyl-2-[(5-methyloxolan-2-yl)methyl]butan-1-amine
CID 103138998
[(2R,5R)-5-methyloxolan-2-yl]methanamine
CID 124512926
3-methyl-4-(5-methyloxolan-2-yl)butan-2-amine
CID 103131770
3,3-dimethyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine
CID 102900494
2-(cyclohexylmethyl)-3,3-dimethylbutan-1-amine
CID 83138887
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(5-methyloxolan-2-yl)propanamide
CID 119607721
2-amino-3-(5-methyloxolan-2-yl)propanamide
CID 103134581
2-cyclopropyl-2-methyl-3-(5-methyloxolan-2-yl)propan-1-amine
CID 103139001
3-chloro-2-methyl-N-[(5-methyloxolan-2-yl)methyl]butan-2-amine
CID 103140019
2-[2-(bromomethyl)butyl]-5-methyloxolane
CID 103142666
2-[5-(5-methyloxolan-2-yl)oxolan-2-yl]ethanamine
CID 130585766
N-[2-(4-chlorophenyl)-3-(5-methyloxolan-2-yl)propyl]-2-methylpropan-2-amine
CID 103138828

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-[(5-methyloxolan-2-yl)methyl]butan-1-amine?
The IUPAC name of 3,3-dimethyl-2-[(5-methyloxolan-2-yl)methyl]butan-1-amine (CID 103138980) is 3,3-dimethyl-2-[(5-methyloxolan-2-yl)methyl]butan-1-amine.
What is the SMILES notation for 3,3-dimethyl-2-[(5-methyloxolan-2-yl)methyl]butan-1-amine?
The canonical SMILES for 3,3-dimethyl-2-[(5-methyloxolan-2-yl)methyl]butan-1-amine is CC1CCC(CC(CN)C(C)(C)C)O1.
What is the InChIKey of 3,3-dimethyl-2-[(5-methyloxolan-2-yl)methyl]butan-1-amine?
The InChIKey is OEVWWRMUKYTDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-9-5-6-11(14-9)7-10(8-13)12(2,3)4/h9-11H,5-8,13H2,1-4H3.
What are the key properties of 3,3-dimethyl-2-[(5-methyloxolan-2-yl)methyl]butan-1-amine?
3,3-dimethyl-2-[(5-methyloxolan-2-yl)methyl]butan-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 3,3-dimethyl-2-[(5-methyloxolan-2-yl)methyl]butan-1-amine is sourced from PubChem (CID 103138980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).