N'-ethyl-N'-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]ethane-1,2-diamine

C13H30N2O — CID 90053516

IUPACN'-ethyl-N'-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]ethane-1,2-diamine
SMILESCCN(CCN)C(C)(C)CCOC(C)(C)C
InChIInChI=1S/C13H30N2O/c1-7-15(10-9-14)13(5,6)8-11-16-12(2,3)4/h7-11,14H2,1-6H3
InChIKeyYTEIXHPHQIMRCE-UHFFFAOYSA-N
MW230.40 g/mol
LogP2.25
Rot. Bonds7

About N'-ethyl-N'-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]ethane-1,2-diamine

N'-ethyl-N'-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]ethane-1,2-diamine (PubChem CID 90053516) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is N'-ethyl-N'-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]ethane-1,2-diamine
PubChem CID90053516
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC NameN'-ethyl-N'-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]ethane-1,2-diamine
SMILESCCN(CCN)C(C)(C)CCOC(C)(C)C
InChIInChI=1S/C13H30N2O/c1-7-15(10-9-14)13(5,6)8-11-16-12(2,3)4/h7-11,14H2,1-6H3
InChIKeyYTEIXHPHQIMRCE-UHFFFAOYSA-N
XLogP2.25
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]ethane-1,2-diamine (CID 90053516) is N'-ethyl-N'-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]ethane-1,2-diamine is CCN(CCN)C(C)(C)CCOC(C)(C)C.
What is the InChIKey of N'-ethyl-N'-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]ethane-1,2-diamine?
The InChIKey is YTEIXHPHQIMRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-7-15(10-9-14)13(5,6)8-11-16-12(2,3)4/h7-11,14H2,1-6H3.
What are the key properties of N'-ethyl-N'-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]ethane-1,2-diamine?
N'-ethyl-N'-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]ethane-1,2-diamine has a molecular weight of 230.40 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 90053516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).