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

C12H30N4 — CID 57019902

IUPAC1-N-[3-(dimethylamino)propyl]-1-N',1-N'-diethylpropane-1,1,3-triamine
SMILESCCN(CC)C(CCN)NCCCN(C)C
InChIInChI=1S/C12H30N4/c1-5-16(6-2)12(8-9-13)14-10-7-11-15(3)4/h12,14H,5-11,13H2,1-4H3
InChIKeyKWAXEDOEGRZZJW-UHFFFAOYSA-N
MW230.40 g/mol
LogP0.54
Rot. Bonds10

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

1-N-[3-(dimethylamino)propyl]-1-N',1-N'-diethylpropane-1,1,3-triamine (PubChem CID 57019902) has the molecular formula C12H30N4 and a molecular weight of 230.40 g/mol. Its IUPAC name is 1-N-[3-(dimethylamino)propyl]-1-N',1-N'-diethylpropane-1,1,3-triamine.

Molecular Properties

Compound Name1-N-[3-(dimethylamino)propyl]-1-N',1-N'-diethylpropane-1,1,3-triamine
PubChem CID57019902
Molecular FormulaC12H30N4
Molecular Weight230.40 g/mol
Exact Mass230.25
IUPAC Name1-N-[3-(dimethylamino)propyl]-1-N',1-N'-diethylpropane-1,1,3-triamine
SMILESCCN(CC)C(CCN)NCCCN(C)C
InChIInChI=1S/C12H30N4/c1-5-16(6-2)12(8-9-13)14-10-7-11-15(3)4/h12,14H,5-11,13H2,1-4H3
InChIKeyKWAXEDOEGRZZJW-UHFFFAOYSA-N
XLogP0.54
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-N-[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

Related Compounds

1-N-[3-[2-(diethylamino)ethylamino]-3-(dimethylamino)propyl]-1-N',1-N'-diethylpropane-1,1,3-triamine
CID 57157918
1-N'-[3-(dimethylamino)propyl]-3-N,3-N-dimethylpropane-1,1,3-triamine
CID 57022854
3-N-(3-aminopropyl)-5-N,5-N-dimethylpentane-1,3,5-triamine
CID 156769993
3-(2-ethyl-2-methylhydrazinyl)-N,N-dimethylpropan-1-amine
CID 121428596
N-heptan-2-yl-N',N'-dimethylpropane-1,3-diamine
CID 43201514
2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-N-(3-methylbutyl)propane-1,2-diamine
CID 102997823
N-heptadecan-2-yl-N',N'-dimethylpropane-1,3-diamine
CID 166889423
3-[[1-[ethyl(2-hydroxyethyl)amino]-2-hydroxyethyl]amino]propan-1-ol
CID 22435941
N-[3-(dimethylamino)propyl]-N-ethyl-2-methylbutane-1,4-diamine
CID 102994226
N',N'-dimethyl-N-(4-methylheptan-3-yl)propane-1,3-diamine
CID 115705393
2-(2-aminoethylamino)ethyl-[2-[2-(dimethylamino)ethylamino]ethyl]-dimethylazanium
CID 18322616
N-(1-amino-2,2,2-trichloroethyl)-N',N'-dimethylpropane-1,3-diamine
CID 44790154

Frequently Asked Questions

What is the IUPAC name of 1-N-[3-(dimethylamino)propyl]-1-N',1-N'-diethylpropane-1,1,3-triamine?
The IUPAC name of 1-N-[3-(dimethylamino)propyl]-1-N',1-N'-diethylpropane-1,1,3-triamine (CID 57019902) is 1-N-[3-(dimethylamino)propyl]-1-N',1-N'-diethylpropane-1,1,3-triamine.
What is the SMILES notation for 1-N-[3-(dimethylamino)propyl]-1-N',1-N'-diethylpropane-1,1,3-triamine?
The canonical SMILES for 1-N-[3-(dimethylamino)propyl]-1-N',1-N'-diethylpropane-1,1,3-triamine is CCN(CC)C(CCN)NCCCN(C)C.
What is the InChIKey of 1-N-[3-(dimethylamino)propyl]-1-N',1-N'-diethylpropane-1,1,3-triamine?
The InChIKey is KWAXEDOEGRZZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H30N4/c1-5-16(6-2)12(8-9-13)14-10-7-11-15(3)4/h12,14H,5-11,13H2,1-4H3.
What are the key properties of 1-N-[3-(dimethylamino)propyl]-1-N',1-N'-diethylpropane-1,1,3-triamine?
1-N-[3-(dimethylamino)propyl]-1-N',1-N'-diethylpropane-1,1,3-triamine has a molecular weight of 230.40 g/mol, XLogP of 0.54, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[3-(dimethylamino)propyl]-1-N',1-N'-diethylpropane-1,1,3-triamine is sourced from PubChem (CID 57019902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).