N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-N,2-dimethyloxolan-3-amine

C18H30N2O — CID 82734133

IUPACN-[[4-[(tert-butylamino)methyl]phenyl]methyl]-N,2-dimethyloxolan-3-amine
SMILESCC1OCCC1N(C)Cc1ccc(CNC(C)(C)C)cc1
InChIInChI=1S/C18H30N2O/c1-14-17(10-11-21-14)20(5)13-16-8-6-15(7-9-16)12-19-18(2,3)4/h6-9,14,17,19H,10-13H2,1-5H3
InChIKeyWQUMBQNYCRGIIN-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.18
Rot. Bonds5

About N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-N,2-dimethyloxolan-3-amine

N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-N,2-dimethyloxolan-3-amine (PubChem CID 82734133) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-N,2-dimethyloxolan-3-amine.

Molecular Properties

Compound NameN-[[4-[(tert-butylamino)methyl]phenyl]methyl]-N,2-dimethyloxolan-3-amine
PubChem CID82734133
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[[4-[(tert-butylamino)methyl]phenyl]methyl]-N,2-dimethyloxolan-3-amine
SMILESCC1OCCC1N(C)Cc1ccc(CNC(C)(C)C)cc1
InChIInChI=1S/C18H30N2O/c1-14-17(10-11-21-14)20(5)13-16-8-6-15(7-9-16)12-19-18(2,3)4/h6-9,14,17,19H,10-13H2,1-5H3
InChIKeyWQUMBQNYCRGIIN-UHFFFAOYSA-N
XLogP3.18
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-N,2-dimethyloxolan-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

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-N,2-dimethyloxolan-3-amine?
The IUPAC name of N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-N,2-dimethyloxolan-3-amine (CID 82734133) is N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-N,2-dimethyloxolan-3-amine.
What is the SMILES notation for N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-N,2-dimethyloxolan-3-amine?
The canonical SMILES for N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-N,2-dimethyloxolan-3-amine is CC1OCCC1N(C)Cc1ccc(CNC(C)(C)C)cc1.
What is the InChIKey of N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-N,2-dimethyloxolan-3-amine?
The InChIKey is WQUMBQNYCRGIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-14-17(10-11-21-14)20(5)13-16-8-6-15(7-9-16)12-19-18(2,3)4/h6-9,14,17,19H,10-13H2,1-5H3.
What are the key properties of N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-N,2-dimethyloxolan-3-amine?
N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-N,2-dimethyloxolan-3-amine has a molecular weight of 290.45 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-N,2-dimethyloxolan-3-amine is sourced from PubChem (CID 82734133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).