3-methyl-4-(5-methyloxolan-2-yl)butan-2-amine

C10H21NO — CID 103131770

IUPAC3-methyl-4-(5-methyloxolan-2-yl)butan-2-amine
SMILESCC1CCC(CC(C)C(C)N)O1
InChIInChI=1S/C10H21NO/c1-7(9(3)11)6-10-5-4-8(2)12-10/h7-10H,4-6,11H2,1-3H3
InChIKeyGHMRDYWGMSLHEI-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.93
Rot. Bonds3

About 3-methyl-4-(5-methyloxolan-2-yl)butan-2-amine

3-methyl-4-(5-methyloxolan-2-yl)butan-2-amine (PubChem CID 103131770) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 3-methyl-4-(5-methyloxolan-2-yl)butan-2-amine.

Molecular Properties

Compound Name3-methyl-4-(5-methyloxolan-2-yl)butan-2-amine
PubChem CID103131770
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name3-methyl-4-(5-methyloxolan-2-yl)butan-2-amine
SMILESCC1CCC(CC(C)C(C)N)O1
InChIInChI=1S/C10H21NO/c1-7(9(3)11)6-10-5-4-8(2)12-10/h7-10H,4-6,11H2,1-3H3
InChIKeyGHMRDYWGMSLHEI-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methyl-4-(5-methyloxolan-2-yl)butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-3-(5-methyloxolan-2-yl)propanamide
CID 103134581
1-[(5-methyloxolan-2-yl)methylsulfinyl]propan-2-amine
CID 103143166
[(2R,5R)-5-methyloxolan-2-yl]methanamine
CID 124512926
3,3-dimethyl-2-[(5-methyloxolan-2-yl)methyl]butan-1-amine
CID 103138980
N,4-dimethyl-5-(5-methyloxolan-2-yl)pentan-2-amine
CID 103131886
N-methyl-3-[(5-methyloxolan-2-yl)methyl]pentan-2-amine
CID 103135831
(2S)-2-methyl-5-[2-(oxolan-2-yl)propyl]oxolane
CID 143383012
2-[2-(bromomethyl)butyl]-5-methyloxolane
CID 103142666
3-[(5-methyloxolan-2-yl)methylsulfinyl]butan-1-amine
CID 103143176
2-methyl-3-(5-methyloxolan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 103139099
3-chloro-2-methyl-N-[(5-methyloxolan-2-yl)methyl]butan-2-amine
CID 103140019
(1S)-1-[4-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine
CID 103133228

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(5-methyloxolan-2-yl)butan-2-amine?
The IUPAC name of 3-methyl-4-(5-methyloxolan-2-yl)butan-2-amine (CID 103131770) is 3-methyl-4-(5-methyloxolan-2-yl)butan-2-amine.
What is the SMILES notation for 3-methyl-4-(5-methyloxolan-2-yl)butan-2-amine?
The canonical SMILES for 3-methyl-4-(5-methyloxolan-2-yl)butan-2-amine is CC1CCC(CC(C)C(C)N)O1.
What is the InChIKey of 3-methyl-4-(5-methyloxolan-2-yl)butan-2-amine?
The InChIKey is GHMRDYWGMSLHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-7(9(3)11)6-10-5-4-8(2)12-10/h7-10H,4-6,11H2,1-3H3.
What are the key properties of 3-methyl-4-(5-methyloxolan-2-yl)butan-2-amine?
3-methyl-4-(5-methyloxolan-2-yl)butan-2-amine has a molecular weight of 171.28 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(5-methyloxolan-2-yl)butan-2-amine is sourced from PubChem (CID 103131770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).