N-(3-ethoxypropyl)-N,N',2-trimethylpropane-1,3-diamine

C11H26N2O — CID 106915894

IUPACN-(3-ethoxypropyl)-N,N',2-trimethylpropane-1,3-diamine
SMILESCCOCCCN(C)CC(C)CNC
InChIInChI=1S/C11H26N2O/c1-5-14-8-6-7-13(4)10-11(2)9-12-3/h11-12H,5-10H2,1-4H3
InChIKeyLTJPEQHSMVCMMK-UHFFFAOYSA-N
MW202.34 g/mol
LogP1.20
Rot. Bonds9

About N-(3-ethoxypropyl)-N,N',2-trimethylpropane-1,3-diamine

N-(3-ethoxypropyl)-N,N',2-trimethylpropane-1,3-diamine (PubChem CID 106915894) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-N,N',2-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-N,N',2-trimethylpropane-1,3-diamine
PubChem CID106915894
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC NameN-(3-ethoxypropyl)-N,N',2-trimethylpropane-1,3-diamine
SMILESCCOCCCN(C)CC(C)CNC
InChIInChI=1S/C11H26N2O/c1-5-14-8-6-7-13(4)10-11(2)9-12-3/h11-12H,5-10H2,1-4H3
InChIKeyLTJPEQHSMVCMMK-UHFFFAOYSA-N
XLogP1.20
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-ethoxypropyl)-N,N',2-trimethylpropane-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

Related Compounds

N-[3-(2-methoxyethoxy)propyl]-N,N',2-trimethylpropane-1,3-diamine
CID 106915870
N'-(3-ethoxypropyl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 65175588
N-(2-ethylsulfanylethyl)-N,N',2-trimethylpropane-1,3-diamine
CID 106915866
N-(2-ethoxyethyl)-N,2-dimethylpentane-1,5-diamine
CID 104682346
N-(2-ethoxyethyl)-N,2-dimethylbutane-1,4-diamine
CID 81055341
N-ethyl-N-methyl-3-[3-(4-methylpentoxy)propoxy]propan-1-amine
CID 164906899
N-(1-methoxypropan-2-yl)-N,N',2-trimethylpropane-1,3-diamine
CID 62429833
1-N-(3-ethoxypropyl)-2-N-methyl-2-N-propylpropane-1,2-diamine
CID 62568786
N-(2-butoxyethyl)-N'-methyl-N'-(2-methylbutyl)ethane-1,2-diamine
CID 62559268
N-(4-methoxybutan-2-yl)-N,N',2-trimethylpropane-1,3-diamine
CID 106915876
N-[2-(2-methoxyphenoxy)ethyl]-N,N',2-trimethylpropane-1,3-diamine
CID 106915931
1-N-(2-ethoxyethyl)-1-N,3-dimethyl-2-N-propylbutane-1,2-diamine
CID 81058530

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-N,N',2-trimethylpropane-1,3-diamine?
The IUPAC name of N-(3-ethoxypropyl)-N,N',2-trimethylpropane-1,3-diamine (CID 106915894) is N-(3-ethoxypropyl)-N,N',2-trimethylpropane-1,3-diamine.
What is the SMILES notation for N-(3-ethoxypropyl)-N,N',2-trimethylpropane-1,3-diamine?
The canonical SMILES for N-(3-ethoxypropyl)-N,N',2-trimethylpropane-1,3-diamine is CCOCCCN(C)CC(C)CNC.
What is the InChIKey of N-(3-ethoxypropyl)-N,N',2-trimethylpropane-1,3-diamine?
The InChIKey is LTJPEQHSMVCMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O/c1-5-14-8-6-7-13(4)10-11(2)9-12-3/h11-12H,5-10H2,1-4H3.
What are the key properties of N-(3-ethoxypropyl)-N,N',2-trimethylpropane-1,3-diamine?
N-(3-ethoxypropyl)-N,N',2-trimethylpropane-1,3-diamine has a molecular weight of 202.34 g/mol, XLogP of 1.20, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-N,N',2-trimethylpropane-1,3-diamine is sourced from PubChem (CID 106915894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).