N,2,2-triethyl-N-phenyl-N'-propylpropane-1,3-diamine

C18H32N2 — CID 63481796

IUPACN,2,2-triethyl-N-phenyl-N'-propylpropane-1,3-diamine
SMILESCCCNCC(CC)(CC)CN(CC)c1ccccc1
InChIInChI=1S/C18H32N2/c1-5-14-19-15-18(6-2,7-3)16-20(8-4)17-12-10-9-11-13-17/h9-13,19H,5-8,14-16H2,1-4H3
InChIKeyAGOTVRMUIQZHAB-UHFFFAOYSA-N
MW276.47 g/mol
LogP4.32
Rot. Bonds10

About N,2,2-triethyl-N-phenyl-N'-propylpropane-1,3-diamine

N,2,2-triethyl-N-phenyl-N'-propylpropane-1,3-diamine (PubChem CID 63481796) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is N,2,2-triethyl-N-phenyl-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN,2,2-triethyl-N-phenyl-N'-propylpropane-1,3-diamine
PubChem CID63481796
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC NameN,2,2-triethyl-N-phenyl-N'-propylpropane-1,3-diamine
SMILESCCCNCC(CC)(CC)CN(CC)c1ccccc1
InChIInChI=1S/C18H32N2/c1-5-14-19-15-18(6-2,7-3)16-20(8-4)17-12-10-9-11-13-17/h9-13,19H,5-8,14-16H2,1-4H3
InChIKeyAGOTVRMUIQZHAB-UHFFFAOYSA-N
XLogP4.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,2,2-triethyl-N-phenyl-N'-propylpropane-1,3-diamine 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,2,2-triethyl-N-phenyl-N'-propylpropane-1,3-diamine?
The IUPAC name of N,2,2-triethyl-N-phenyl-N'-propylpropane-1,3-diamine (CID 63481796) is N,2,2-triethyl-N-phenyl-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N,2,2-triethyl-N-phenyl-N'-propylpropane-1,3-diamine?
The canonical SMILES for N,2,2-triethyl-N-phenyl-N'-propylpropane-1,3-diamine is CCCNCC(CC)(CC)CN(CC)c1ccccc1.
What is the InChIKey of N,2,2-triethyl-N-phenyl-N'-propylpropane-1,3-diamine?
The InChIKey is AGOTVRMUIQZHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-5-14-19-15-18(6-2,7-3)16-20(8-4)17-12-10-9-11-13-17/h9-13,19H,5-8,14-16H2,1-4H3.
What are the key properties of N,2,2-triethyl-N-phenyl-N'-propylpropane-1,3-diamine?
N,2,2-triethyl-N-phenyl-N'-propylpropane-1,3-diamine has a molecular weight of 276.47 g/mol, XLogP of 4.32, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-triethyl-N-phenyl-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 63481796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).