N-[3-(dimethylamino)propyl]-N-ethyl-2-methyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine

C18H41N3 — CID 102997053

IUPACN-[3-(dimethylamino)propyl]-N-ethyl-2-methyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine
SMILESCCCC(C)(CNCC(C)C)CN(CC)CCCN(C)C
InChIInChI=1S/C18H41N3/c1-8-11-18(5,15-19-14-17(3)4)16-21(9-2)13-10-12-20(6)7/h17,19H,8-16H2,1-7H3
InChIKeyBWOCFVSZEPCVRK-UHFFFAOYSA-N
MW299.55 g/mol
LogP3.31
Rot. Bonds13

About N-[3-(dimethylamino)propyl]-N-ethyl-2-methyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine

N-[3-(dimethylamino)propyl]-N-ethyl-2-methyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine (PubChem CID 102997053) has the molecular formula C18H41N3 and a molecular weight of 299.55 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N-ethyl-2-methyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-N-ethyl-2-methyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine
PubChem CID102997053
Molecular FormulaC18H41N3
Molecular Weight299.55 g/mol
Exact Mass299.33
IUPAC NameN-[3-(dimethylamino)propyl]-N-ethyl-2-methyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine
SMILESCCCC(C)(CNCC(C)C)CN(CC)CCCN(C)C
InChIInChI=1S/C18H41N3/c1-8-11-18(5,15-19-14-17(3)4)16-21(9-2)13-10-12-20(6)7/h17,19H,8-16H2,1-7H3
InChIKeyBWOCFVSZEPCVRK-UHFFFAOYSA-N
XLogP3.31
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.55
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-(dimethylamino)propyl]-N-ethyl-2-methyl-N'-(2-methylpropyl)-2-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-[3-(dimethylamino)propyl]-N-ethyl-2-methyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine?
The IUPAC name of N-[3-(dimethylamino)propyl]-N-ethyl-2-methyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine (CID 102997053) is N-[3-(dimethylamino)propyl]-N-ethyl-2-methyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-N-ethyl-2-methyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine?
The canonical SMILES for N-[3-(dimethylamino)propyl]-N-ethyl-2-methyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine is CCCC(C)(CNCC(C)C)CN(CC)CCCN(C)C.
What is the InChIKey of N-[3-(dimethylamino)propyl]-N-ethyl-2-methyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine?
The InChIKey is BWOCFVSZEPCVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H41N3/c1-8-11-18(5,15-19-14-17(3)4)16-21(9-2)13-10-12-20(6)7/h17,19H,8-16H2,1-7H3.
What are the key properties of N-[3-(dimethylamino)propyl]-N-ethyl-2-methyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine?
N-[3-(dimethylamino)propyl]-N-ethyl-2-methyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine has a molecular weight of 299.55 g/mol, XLogP of 3.31, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-N-ethyl-2-methyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine is sourced from PubChem (CID 102997053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).