N-[[4-(dimethylamino)phenyl]methyl]-2,6-di(propan-2-yl)oxan-4-amine

C20H34N2O — CID 128963096

IUPACN-[[4-(dimethylamino)phenyl]methyl]-2,6-di(propan-2-yl)oxan-4-amine
SMILESCC(C)C1CC(NCc2ccc(N(C)C)cc2)CC(C(C)C)O1
InChIInChI=1S/C20H34N2O/c1-14(2)19-11-17(12-20(23-19)15(3)4)21-13-16-7-9-18(10-8-16)22(5)6/h7-10,14-15,17,19-21H,11-13H2,1-6H3
InChIKeyFKVALROBMRHKRI-UHFFFAOYSA-N
MW318.51 g/mol
LogP4.07
Rot. Bonds6

About N-[[4-(dimethylamino)phenyl]methyl]-2,6-di(propan-2-yl)oxan-4-amine

N-[[4-(dimethylamino)phenyl]methyl]-2,6-di(propan-2-yl)oxan-4-amine (PubChem CID 128963096) has the molecular formula C20H34N2O and a molecular weight of 318.51 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-2,6-di(propan-2-yl)oxan-4-amine.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-2,6-di(propan-2-yl)oxan-4-amine
PubChem CID128963096
Molecular FormulaC20H34N2O
Molecular Weight318.51 g/mol
Exact Mass318.27
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-2,6-di(propan-2-yl)oxan-4-amine
SMILESCC(C)C1CC(NCc2ccc(N(C)C)cc2)CC(C(C)C)O1
InChIInChI=1S/C20H34N2O/c1-14(2)19-11-17(12-20(23-19)15(3)4)21-13-16-7-9-18(10-8-16)22(5)6/h7-10,14-15,17,19-21H,11-13H2,1-6H3
InChIKeyFKVALROBMRHKRI-UHFFFAOYSA-N
XLogP4.07
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.51
LogP ≤ 54.07
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2,6-di(propan-2-yl)oxan-4-amine?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2,6-di(propan-2-yl)oxan-4-amine (CID 128963096) is N-[[4-(dimethylamino)phenyl]methyl]-2,6-di(propan-2-yl)oxan-4-amine.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-2,6-di(propan-2-yl)oxan-4-amine?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-2,6-di(propan-2-yl)oxan-4-amine is CC(C)C1CC(NCc2ccc(N(C)C)cc2)CC(C(C)C)O1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-2,6-di(propan-2-yl)oxan-4-amine?
The InChIKey is FKVALROBMRHKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O/c1-14(2)19-11-17(12-20(23-19)15(3)4)21-13-16-7-9-18(10-8-16)22(5)6/h7-10,14-15,17,19-21H,11-13H2,1-6H3.
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-2,6-di(propan-2-yl)oxan-4-amine?
N-[[4-(dimethylamino)phenyl]methyl]-2,6-di(propan-2-yl)oxan-4-amine has a molecular weight of 318.51 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-2,6-di(propan-2-yl)oxan-4-amine is sourced from PubChem (CID 128963096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).