N',N'-dimethyl-N-[2-(4-methylpentan-2-yloxy)ethyl]ethane-1,2-diamine

C12H28N2O — CID 62572976

IUPACN',N'-dimethyl-N-[2-(4-methylpentan-2-yloxy)ethyl]ethane-1,2-diamine
SMILESCC(C)CC(C)OCCNCCN(C)C
InChIInChI=1S/C12H28N2O/c1-11(2)10-12(3)15-9-7-13-6-8-14(4)5/h11-13H,6-10H2,1-5H3
InChIKeyJCIOOMSIPFYCHK-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.59
Rot. Bonds9

About N',N'-dimethyl-N-[2-(4-methylpentan-2-yloxy)ethyl]ethane-1,2-diamine

N',N'-dimethyl-N-[2-(4-methylpentan-2-yloxy)ethyl]ethane-1,2-diamine (PubChem CID 62572976) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is N',N'-dimethyl-N-[2-(4-methylpentan-2-yloxy)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[2-(4-methylpentan-2-yloxy)ethyl]ethane-1,2-diamine
PubChem CID62572976
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC NameN',N'-dimethyl-N-[2-(4-methylpentan-2-yloxy)ethyl]ethane-1,2-diamine
SMILESCC(C)CC(C)OCCNCCN(C)C
InChIInChI=1S/C12H28N2O/c1-11(2)10-12(3)15-9-7-13-6-8-14(4)5/h11-13H,6-10H2,1-5H3
InChIKeyJCIOOMSIPFYCHK-UHFFFAOYSA-N
XLogP1.59
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
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'-dimethyl-N-[2-(4-methylpentan-2-yloxy)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

1-[2-(3-Methylbutoxy)ethyl]piperazine
CID 20811786
N'-(2-aminoethyl)-N'-[2-(2-butan-2-yloxyethylamino)ethyl]ethane-1,2-diamine
CID 57578638
N,N'-dimethyl-N'-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethane-1,2-diamine
CID 57632562
N',N'-dimethyl-N-(2-propan-2-yloxyethyl)ethane-1,2-diamine
CID 60686814
N,N'-dimethyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine
CID 61485125
N-ethyl-2-(4-methylpentoxy)ethanamine
CID 61684476
N-ethyl-N'-methyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine
CID 61888123
1-[2-(2-Methylpentoxy)ethyl]piperazine
CID 103283868
1-[2-(2-Methylbutoxy)ethyl]piperazine
CID 135182416
2-(2,4-dimethylpentan-2-yloxy)-N-methylethanamine
CID 138631533
N-ethyl-N'-(2-propan-2-yloxyethyl)-N'-propylethane-1,2-diamine
CID 154950769
N-ethyl-N'-methyl-N'-[2-(3-methylcyclobutyl)oxyethyl]ethane-1,2-diamine
CID 155583775

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[2-(4-methylpentan-2-yloxy)ethyl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[2-(4-methylpentan-2-yloxy)ethyl]ethane-1,2-diamine (CID 62572976) is N',N'-dimethyl-N-[2-(4-methylpentan-2-yloxy)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[2-(4-methylpentan-2-yloxy)ethyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[2-(4-methylpentan-2-yloxy)ethyl]ethane-1,2-diamine is CC(C)CC(C)OCCNCCN(C)C.
What is the InChIKey of N',N'-dimethyl-N-[2-(4-methylpentan-2-yloxy)ethyl]ethane-1,2-diamine?
The InChIKey is JCIOOMSIPFYCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-11(2)10-12(3)15-9-7-13-6-8-14(4)5/h11-13H,6-10H2,1-5H3.
What are the key properties of N',N'-dimethyl-N-[2-(4-methylpentan-2-yloxy)ethyl]ethane-1,2-diamine?
N',N'-dimethyl-N-[2-(4-methylpentan-2-yloxy)ethyl]ethane-1,2-diamine has a molecular weight of 216.37 g/mol, XLogP of 1.59, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[2-(4-methylpentan-2-yloxy)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 62572976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).