N',N'-diethyl-N-[2-(2-methylpropoxy)ethyl]ethane-1,2-diamine

C12H28N2O — CID 62565030

IUPACN',N'-diethyl-N-[2-(2-methylpropoxy)ethyl]ethane-1,2-diamine
SMILESCCN(CC)CCNCCOCC(C)C
InChIInChI=1S/C12H28N2O/c1-5-14(6-2)9-7-13-8-10-15-11-12(3)4/h12-13H,5-11H2,1-4H3
InChIKeyXFPMALMBWIWKRQ-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.59
Rot. Bonds10

About N',N'-diethyl-N-[2-(2-methylpropoxy)ethyl]ethane-1,2-diamine

N',N'-diethyl-N-[2-(2-methylpropoxy)ethyl]ethane-1,2-diamine (PubChem CID 62565030) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is N',N'-diethyl-N-[2-(2-methylpropoxy)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-[2-(2-methylpropoxy)ethyl]ethane-1,2-diamine
PubChem CID62565030
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC NameN',N'-diethyl-N-[2-(2-methylpropoxy)ethyl]ethane-1,2-diamine
SMILESCCN(CC)CCNCCOCC(C)C
InChIInChI=1S/C12H28N2O/c1-5-14(6-2)9-7-13-8-10-15-11-12(3)4/h12-13H,5-11H2,1-4H3
InChIKeyXFPMALMBWIWKRQ-UHFFFAOYSA-N
XLogP1.59
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N',N'-diethyl-N-[2-(2-methylpropoxy)ethyl]ethane-1,2-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-[2-(2-methylpropoxy)ethyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 106451162
N-(2-ethoxyethyl)-N'-ethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62575445
1-[2-(diethylamino)ethylamino]-3-(2-methylpropoxy)propan-2-ol
CID 60632995
6-bromo-N-[2-(2-methylpropoxy)ethyl]hexan-1-amine
CID 107844233
N-[2-(2-methylpropoxy)ethyl]-3-propoxypropan-1-amine
CID 106452398
N-[2-(diethylamino)ethyl]-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 55089958
N',N'-diethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethane-1,2-diamine
CID 62599740
N',N'-diethyl-N-[2-(3-methylbutylsulfanyl)ethyl]ethane-1,2-diamine
CID 107757705
N-(3-chloro-4-methoxybutyl)-N',N'-diethylethane-1,2-diamine
CID 106242456
2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]propan-1-amine
CID 106449858
N',N'-dimethyl-N-[2-(2-methylpentoxy)ethyl]ethane-1,2-diamine
CID 103285767
N'-ethyl-N'-(2-methylpropyl)-N-propylethane-1,2-diamine
CID 61386594

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[2-(2-methylpropoxy)ethyl]ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-[2-(2-methylpropoxy)ethyl]ethane-1,2-diamine (CID 62565030) is N',N'-diethyl-N-[2-(2-methylpropoxy)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-[2-(2-methylpropoxy)ethyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-[2-(2-methylpropoxy)ethyl]ethane-1,2-diamine is CCN(CC)CCNCCOCC(C)C.
What is the InChIKey of N',N'-diethyl-N-[2-(2-methylpropoxy)ethyl]ethane-1,2-diamine?
The InChIKey is XFPMALMBWIWKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-5-14(6-2)9-7-13-8-10-15-11-12(3)4/h12-13H,5-11H2,1-4H3.
What are the key properties of N',N'-diethyl-N-[2-(2-methylpropoxy)ethyl]ethane-1,2-diamine?
N',N'-diethyl-N-[2-(2-methylpropoxy)ethyl]ethane-1,2-diamine has a molecular weight of 216.37 g/mol, XLogP of 1.59, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[2-(2-methylpropoxy)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 62565030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).