1-N-[3-[2-(diethylamino)ethylamino]-3-(dimethylamino)propyl]-1-N',1-N'-diethylpropane-1,1,3-triamine

C18H44N6 — CID 57157918

IUPAC1-N-[3-[2-(diethylamino)ethylamino]-3-(dimethylamino)propyl]-1-N',1-N'-diethylpropane-1,1,3-triamine
SMILESCCN(CC)CCNC(CCNC(CCN)N(CC)CC)N(C)C
InChIInChI=1S/C18H44N6/c1-7-23(8-2)16-15-21-17(22(5)6)12-14-20-18(11-13-19)24(9-3)10-4/h17-18,20-21H,7-16,19H2,1-6H3
InChIKeyDRUYFWRLANGBRC-UHFFFAOYSA-N
MW344.59 g/mol
LogP0.80
Rot. Bonds16

About 1-N-[3-[2-(diethylamino)ethylamino]-3-(dimethylamino)propyl]-1-N',1-N'-diethylpropane-1,1,3-triamine

1-N-[3-[2-(diethylamino)ethylamino]-3-(dimethylamino)propyl]-1-N',1-N'-diethylpropane-1,1,3-triamine (PubChem CID 57157918) has the molecular formula C18H44N6 and a molecular weight of 344.59 g/mol. Its IUPAC name is 1-N-[3-[2-(diethylamino)ethylamino]-3-(dimethylamino)propyl]-1-N',1-N'-diethylpropane-1,1,3-triamine.

Molecular Properties

Compound Name1-N-[3-[2-(diethylamino)ethylamino]-3-(dimethylamino)propyl]-1-N',1-N'-diethylpropane-1,1,3-triamine
PubChem CID57157918
Molecular FormulaC18H44N6
Molecular Weight344.59 g/mol
Exact Mass344.36
IUPAC Name1-N-[3-[2-(diethylamino)ethylamino]-3-(dimethylamino)propyl]-1-N',1-N'-diethylpropane-1,1,3-triamine
SMILESCCN(CC)CCNC(CCNC(CCN)N(CC)CC)N(C)C
InChIInChI=1S/C18H44N6/c1-7-23(8-2)16-15-21-17(22(5)6)12-14-20-18(11-13-19)24(9-3)10-4/h17-18,20-21H,7-16,19H2,1-6H3
InChIKeyDRUYFWRLANGBRC-UHFFFAOYSA-N
XLogP0.80
TPSA59.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.59
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-N-[3-[2-(diethylamino)ethylamino]-3-(dimethylamino)propyl]-1-N',1-N'-diethylpropane-1,1,3-triamine 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 1-N-[3-[2-(diethylamino)ethylamino]-3-(dimethylamino)propyl]-1-N',1-N'-diethylpropane-1,1,3-triamine?
The IUPAC name of 1-N-[3-[2-(diethylamino)ethylamino]-3-(dimethylamino)propyl]-1-N',1-N'-diethylpropane-1,1,3-triamine (CID 57157918) is 1-N-[3-[2-(diethylamino)ethylamino]-3-(dimethylamino)propyl]-1-N',1-N'-diethylpropane-1,1,3-triamine.
What is the SMILES notation for 1-N-[3-[2-(diethylamino)ethylamino]-3-(dimethylamino)propyl]-1-N',1-N'-diethylpropane-1,1,3-triamine?
The canonical SMILES for 1-N-[3-[2-(diethylamino)ethylamino]-3-(dimethylamino)propyl]-1-N',1-N'-diethylpropane-1,1,3-triamine is CCN(CC)CCNC(CCNC(CCN)N(CC)CC)N(C)C.
What is the InChIKey of 1-N-[3-[2-(diethylamino)ethylamino]-3-(dimethylamino)propyl]-1-N',1-N'-diethylpropane-1,1,3-triamine?
The InChIKey is DRUYFWRLANGBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H44N6/c1-7-23(8-2)16-15-21-17(22(5)6)12-14-20-18(11-13-19)24(9-3)10-4/h17-18,20-21H,7-16,19H2,1-6H3.
What are the key properties of 1-N-[3-[2-(diethylamino)ethylamino]-3-(dimethylamino)propyl]-1-N',1-N'-diethylpropane-1,1,3-triamine?
1-N-[3-[2-(diethylamino)ethylamino]-3-(dimethylamino)propyl]-1-N',1-N'-diethylpropane-1,1,3-triamine has a molecular weight of 344.59 g/mol, XLogP of 0.80, 16 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[3-[2-(diethylamino)ethylamino]-3-(dimethylamino)propyl]-1-N',1-N'-diethylpropane-1,1,3-triamine is sourced from PubChem (CID 57157918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).