N-[2-(2-methylpropoxy)ethyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine

C14H32N2O — CID 106451162

IUPACN-[2-(2-methylpropoxy)ethyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCC(C)COCCNCCN(C(C)C)C(C)C
InChIInChI=1S/C14H32N2O/c1-12(2)11-17-10-8-15-7-9-16(13(3)4)14(5)6/h12-15H,7-11H2,1-6H3
InChIKeyOLJQSSIURQQOQV-UHFFFAOYSA-N
MW244.42 g/mol
LogP2.37
Rot. Bonds10

About N-[2-(2-methylpropoxy)ethyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine

N-[2-(2-methylpropoxy)ethyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine (PubChem CID 106451162) has the molecular formula C14H32N2O and a molecular weight of 244.42 g/mol. Its IUPAC name is N-[2-(2-methylpropoxy)ethyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-[2-(2-methylpropoxy)ethyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
PubChem CID106451162
Molecular FormulaC14H32N2O
Molecular Weight244.42 g/mol
Exact Mass244.25
IUPAC NameN-[2-(2-methylpropoxy)ethyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCC(C)COCCNCCN(C(C)C)C(C)C
InChIInChI=1S/C14H32N2O/c1-12(2)11-17-10-8-15-7-9-16(13(3)4)14(5)6/h12-15H,7-11H2,1-6H3
InChIKeyOLJQSSIURQQOQV-UHFFFAOYSA-N
XLogP2.37
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N',N'-diethyl-N-[2-(2-methylpropoxy)ethyl]ethane-1,2-diamine
CID 62565030
2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]propan-1-amine
CID 106449858
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-[2-[2-[di(propan-2-yl)amino]ethylamino]ethyl-propan-2-ylamino]ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 165403745
N-[2-(2-methylpropoxy)ethyl]hex-5-yn-1-amine
CID 106211399
N',N'-dimethyl-N-[2-(2-methylpentoxy)ethyl]ethane-1,2-diamine
CID 103285767
N',N'-di(propan-2-yl)-N-(silyloxymethyl)ethane-1,2-diamine
CID 123361702
N-(3-fluoropropyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 81106048
1-[3-[di(propan-2-yl)amino]propyl]-2-methyl-3-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide
CID 111692531
2-(2-methylpropoxy)-N-(2-prop-2-ynylsulfanylethyl)ethanamine
CID 106428413
N'-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 172512750

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpropoxy)ethyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-[2-(2-methylpropoxy)ethyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine (CID 106451162) is N-[2-(2-methylpropoxy)ethyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-[2-(2-methylpropoxy)ethyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-[2-(2-methylpropoxy)ethyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine is CC(C)COCCNCCN(C(C)C)C(C)C.
What is the InChIKey of N-[2-(2-methylpropoxy)ethyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The InChIKey is OLJQSSIURQQOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O/c1-12(2)11-17-10-8-15-7-9-16(13(3)4)14(5)6/h12-15H,7-11H2,1-6H3.
What are the key properties of N-[2-(2-methylpropoxy)ethyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine?
N-[2-(2-methylpropoxy)ethyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine has a molecular weight of 244.42 g/mol, XLogP of 2.37, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpropoxy)ethyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 106451162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).