N,2-dimethyl-N-[4-(propylaminomethyl)phenyl]oxolan-3-amine

C16H26N2O — CID 82741920

IUPACN,2-dimethyl-N-[4-(propylaminomethyl)phenyl]oxolan-3-amine
SMILESCCCNCc1ccc(N(C)C2CCOC2C)cc1
InChIInChI=1S/C16H26N2O/c1-4-10-17-12-14-5-7-15(8-6-14)18(3)16-9-11-19-13(16)2/h5-8,13,16-17H,4,9-12H2,1-3H3
InChIKeyPQDBFMWUCNUOOO-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.80
Rot. Bonds6

About N,2-dimethyl-N-[4-(propylaminomethyl)phenyl]oxolan-3-amine

N,2-dimethyl-N-[4-(propylaminomethyl)phenyl]oxolan-3-amine (PubChem CID 82741920) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N,2-dimethyl-N-[4-(propylaminomethyl)phenyl]oxolan-3-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-[4-(propylaminomethyl)phenyl]oxolan-3-amine
PubChem CID82741920
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN,2-dimethyl-N-[4-(propylaminomethyl)phenyl]oxolan-3-amine
SMILESCCCNCc1ccc(N(C)C2CCOC2C)cc1
InChIInChI=1S/C16H26N2O/c1-4-10-17-12-14-5-7-15(8-6-14)18(3)16-9-11-19-13(16)2/h5-8,13,16-17H,4,9-12H2,1-3H3
InChIKeyPQDBFMWUCNUOOO-UHFFFAOYSA-N
XLogP2.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N,2-dimethyl-N-[4-(propylaminomethyl)phenyl]oxolan-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

N,2-dimethyl-N-[4-(methylaminomethyl)phenyl]oxolan-3-amine
CID 82742719
N-methyl-N-(2-methyloxolan-3-yl)-5-(propylaminomethyl)pyrazin-2-amine
CID 107380700
N-(furan-3-ylmethyl)-N'-methyl-N'-(2-methyloxolan-3-yl)ethane-1,2-diamine
CID 82754097
N-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-N,2-dimethyloxolan-3-amine
CID 82734709
N-(4-ethylcyclohexyl)-N-methyl-4-(propylaminomethyl)aniline
CID 63553409
4-(ethylaminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82729543
N-[3-(ethylaminomethyl)-5-fluorophenyl]-N,2-dimethyloxolan-3-amine
CID 106532973
4-ethyl-N-methyl-N-(2-methyloxolan-3-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 82754026
N-[4-[(2-methoxyethylamino)methyl]-3-methylphenyl]-N,2-dimethyloxolan-3-amine
CID 82731104
N,2-dimethyl-N-[2-[1-(propylamino)ethyl]phenyl]oxolan-3-amine
CID 82739333
N-methyl-N-[[4-(propylaminomethyl)phenyl]methyl]cyclopropanamine
CID 55129561
N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-N,2-dimethyloxolan-3-amine
CID 82734133

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[4-(propylaminomethyl)phenyl]oxolan-3-amine?
The IUPAC name of N,2-dimethyl-N-[4-(propylaminomethyl)phenyl]oxolan-3-amine (CID 82741920) is N,2-dimethyl-N-[4-(propylaminomethyl)phenyl]oxolan-3-amine.
What is the SMILES notation for N,2-dimethyl-N-[4-(propylaminomethyl)phenyl]oxolan-3-amine?
The canonical SMILES for N,2-dimethyl-N-[4-(propylaminomethyl)phenyl]oxolan-3-amine is CCCNCc1ccc(N(C)C2CCOC2C)cc1.
What is the InChIKey of N,2-dimethyl-N-[4-(propylaminomethyl)phenyl]oxolan-3-amine?
The InChIKey is PQDBFMWUCNUOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-10-17-12-14-5-7-15(8-6-14)18(3)16-9-11-19-13(16)2/h5-8,13,16-17H,4,9-12H2,1-3H3.
What are the key properties of N,2-dimethyl-N-[4-(propylaminomethyl)phenyl]oxolan-3-amine?
N,2-dimethyl-N-[4-(propylaminomethyl)phenyl]oxolan-3-amine has a molecular weight of 262.40 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[4-(propylaminomethyl)phenyl]oxolan-3-amine is sourced from PubChem (CID 82741920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).