2,2-dimethyl-3-(3-phenylprop-2-enoxy)-N-propan-2-ylpropan-1-amine

C17H27NO — CID 79627713

IUPAC2,2-dimethyl-3-(3-phenylprop-2-enoxy)-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(C)(C)COCC=Cc1ccccc1
InChIInChI=1S/C17H27NO/c1-15(2)18-13-17(3,4)14-19-12-8-11-16-9-6-5-7-10-16/h5-11,15,18H,12-14H2,1-4H3
InChIKeySYNZPZDBABBHBL-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.74
Rot. Bonds8

About 2,2-dimethyl-3-(3-phenylprop-2-enoxy)-N-propan-2-ylpropan-1-amine

2,2-dimethyl-3-(3-phenylprop-2-enoxy)-N-propan-2-ylpropan-1-amine (PubChem CID 79627713) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2,2-dimethyl-3-(3-phenylprop-2-enoxy)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-3-(3-phenylprop-2-enoxy)-N-propan-2-ylpropan-1-amine
PubChem CID79627713
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2,2-dimethyl-3-(3-phenylprop-2-enoxy)-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(C)(C)COCC=Cc1ccccc1
InChIInChI=1S/C17H27NO/c1-15(2)18-13-17(3,4)14-19-12-8-11-16-9-6-5-7-10-16/h5-11,15,18H,12-14H2,1-4H3
InChIKeySYNZPZDBABBHBL-UHFFFAOYSA-N
XLogP3.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2,2-dimethyl-3-(3-phenylprop-2-enoxy)-N-propan-2-ylpropan-1-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 2,2-dimethyl-3-(3-phenylprop-2-enoxy)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 2,2-dimethyl-3-(3-phenylprop-2-enoxy)-N-propan-2-ylpropan-1-amine (CID 79627713) is 2,2-dimethyl-3-(3-phenylprop-2-enoxy)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 2,2-dimethyl-3-(3-phenylprop-2-enoxy)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 2,2-dimethyl-3-(3-phenylprop-2-enoxy)-N-propan-2-ylpropan-1-amine is CC(C)NCC(C)(C)COCC=Cc1ccccc1.
What is the InChIKey of 2,2-dimethyl-3-(3-phenylprop-2-enoxy)-N-propan-2-ylpropan-1-amine?
The InChIKey is SYNZPZDBABBHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-15(2)18-13-17(3,4)14-19-12-8-11-16-9-6-5-7-10-16/h5-11,15,18H,12-14H2,1-4H3.
What are the key properties of 2,2-dimethyl-3-(3-phenylprop-2-enoxy)-N-propan-2-ylpropan-1-amine?
2,2-dimethyl-3-(3-phenylprop-2-enoxy)-N-propan-2-ylpropan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(3-phenylprop-2-enoxy)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 79627713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).