4-[[methyl(4-methylpentan-2-yl)amino]methyl]-N-propyloxolan-3-amine

C15H32N2O — CID 66255630

IUPAC4-[[methyl(4-methylpentan-2-yl)amino]methyl]-N-propyloxolan-3-amine
SMILESCCCNC1COCC1CN(C)C(C)CC(C)C
InChIInChI=1S/C15H32N2O/c1-6-7-16-15-11-18-10-14(15)9-17(5)13(4)8-12(2)3/h12-16H,6-11H2,1-5H3
InChIKeyQKNBODKZZWNBCA-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.37
Rot. Bonds8

About 4-[[methyl(4-methylpentan-2-yl)amino]methyl]-N-propyloxolan-3-amine

4-[[methyl(4-methylpentan-2-yl)amino]methyl]-N-propyloxolan-3-amine (PubChem CID 66255630) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 4-[[methyl(4-methylpentan-2-yl)amino]methyl]-N-propyloxolan-3-amine.

Molecular Properties

Compound Name4-[[methyl(4-methylpentan-2-yl)amino]methyl]-N-propyloxolan-3-amine
PubChem CID66255630
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name4-[[methyl(4-methylpentan-2-yl)amino]methyl]-N-propyloxolan-3-amine
SMILESCCCNC1COCC1CN(C)C(C)CC(C)C
InChIInChI=1S/C15H32N2O/c1-6-7-16-15-11-18-10-14(15)9-17(5)13(4)8-12(2)3/h12-16H,6-11H2,1-5H3
InChIKeyQKNBODKZZWNBCA-UHFFFAOYSA-N
XLogP2.37
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[[methyl(4-methylpentan-2-yl)amino]methyl]-N-propyloxolan-3-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

4-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]-N-propylcyclohexan-1-amine
CID 63495788
4-(diethylaminomethyl)-N-propyloxolan-3-amine
CID 66256952
4-[[cyclopropyl(ethyl)amino]methyl]-N-propyloxolan-3-amine
CID 66256381
4-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]-N-propyloxolan-3-amine
CID 66256012
3-[[methyl(pentan-3-yl)amino]methyl]-N-propyloxan-4-amine
CID 103058871
4-[[cyclopentyl(ethyl)amino]methyl]-N-propyloxolan-3-amine
CID 66254473
4-[[methyl-(3-methylcyclohexyl)amino]methyl]-N-propyloxolan-3-amine
CID 66256771
4-[(N,2-dimethylanilino)methyl]-N-propyloxolan-3-amine
CID 66255632
4-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-N-propyloxolan-3-amine
CID 79320006
4-[(dimethylamino)methyl]-N-ethyloxolan-3-amine
CID 66259900
N-methyl-4-[[propan-2-yl(propyl)amino]methyl]oxolan-3-amine
CID 66247746
4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-N-propyloxolan-3-amine
CID 66256967

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(4-methylpentan-2-yl)amino]methyl]-N-propyloxolan-3-amine?
The IUPAC name of 4-[[methyl(4-methylpentan-2-yl)amino]methyl]-N-propyloxolan-3-amine (CID 66255630) is 4-[[methyl(4-methylpentan-2-yl)amino]methyl]-N-propyloxolan-3-amine.
What is the SMILES notation for 4-[[methyl(4-methylpentan-2-yl)amino]methyl]-N-propyloxolan-3-amine?
The canonical SMILES for 4-[[methyl(4-methylpentan-2-yl)amino]methyl]-N-propyloxolan-3-amine is CCCNC1COCC1CN(C)C(C)CC(C)C.
What is the InChIKey of 4-[[methyl(4-methylpentan-2-yl)amino]methyl]-N-propyloxolan-3-amine?
The InChIKey is QKNBODKZZWNBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-6-7-16-15-11-18-10-14(15)9-17(5)13(4)8-12(2)3/h12-16H,6-11H2,1-5H3.
What are the key properties of 4-[[methyl(4-methylpentan-2-yl)amino]methyl]-N-propyloxolan-3-amine?
4-[[methyl(4-methylpentan-2-yl)amino]methyl]-N-propyloxolan-3-amine has a molecular weight of 256.43 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(4-methylpentan-2-yl)amino]methyl]-N-propyloxolan-3-amine is sourced from PubChem (CID 66255630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).