2-[2-[di(propan-2-yl)amino]ethoxy]-N-methylbutan-1-amine

C13H30N2O — CID 115505812

IUPAC2-[2-[di(propan-2-yl)amino]ethoxy]-N-methylbutan-1-amine
SMILESCCC(CNC)OCCN(C(C)C)C(C)C
InChIInChI=1S/C13H30N2O/c1-7-13(10-14-6)16-9-8-15(11(2)3)12(4)5/h11-14H,7-10H2,1-6H3
InChIKeyIFOVBGLNXZKYLQ-UHFFFAOYSA-N
MW230.40 g/mol
LogP2.12
Rot. Bonds9

About 2-[2-[di(propan-2-yl)amino]ethoxy]-N-methylbutan-1-amine

2-[2-[di(propan-2-yl)amino]ethoxy]-N-methylbutan-1-amine (PubChem CID 115505812) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is 2-[2-[di(propan-2-yl)amino]ethoxy]-N-methylbutan-1-amine.

Molecular Properties

Compound Name2-[2-[di(propan-2-yl)amino]ethoxy]-N-methylbutan-1-amine
PubChem CID115505812
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC Name2-[2-[di(propan-2-yl)amino]ethoxy]-N-methylbutan-1-amine
SMILESCCC(CNC)OCCN(C(C)C)C(C)C
InChIInChI=1S/C13H30N2O/c1-7-13(10-14-6)16-9-8-15(11(2)3)12(4)5/h11-14H,7-10H2,1-6H3
InChIKeyIFOVBGLNXZKYLQ-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(dimethylamino)ethoxy]-N-methylbutan-1-amine
CID 62460004
N-methyl-2-propoxybutan-1-amine
CID 62452056
2-(2-ethoxyethoxy)-N-methylbutan-1-amine
CID 62444508
N-methyl-2-[2-(2-methylpropoxy)ethoxy]butan-1-amine
CID 106449827
2-[2-(2-methoxyethoxy)ethoxy]-N-methylbutan-1-amine
CID 104566817
2-N-(2-methoxyethyl)-1-N-methyl-2-N-propan-2-ylpropane-1,2-diamine
CID 82952553
N-[2-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxypropyl]-2-methylpropan-2-amine
CID 103228941
N-methyl-2-(2-pyrrolidin-1-ylethoxy)butan-1-amine
CID 62460019
2-[2-[di(propan-2-yl)amino]ethoxy]-3-methyl-N-propan-2-ylbutan-1-amine
CID 115505833
O-[1-(methylamino)butan-2-yl]hydroxylamine
CID 118650526
N-(2-ethoxyethyl)-N-propan-2-ylpropan-2-amine
CID 575118
1-[ethyl(propyl)amino]-3-[1-(methylamino)butan-2-yloxy]propan-2-ol
CID 90250564

Frequently Asked Questions

What is the IUPAC name of 2-[2-[di(propan-2-yl)amino]ethoxy]-N-methylbutan-1-amine?
The IUPAC name of 2-[2-[di(propan-2-yl)amino]ethoxy]-N-methylbutan-1-amine (CID 115505812) is 2-[2-[di(propan-2-yl)amino]ethoxy]-N-methylbutan-1-amine.
What is the SMILES notation for 2-[2-[di(propan-2-yl)amino]ethoxy]-N-methylbutan-1-amine?
The canonical SMILES for 2-[2-[di(propan-2-yl)amino]ethoxy]-N-methylbutan-1-amine is CCC(CNC)OCCN(C(C)C)C(C)C.
What is the InChIKey of 2-[2-[di(propan-2-yl)amino]ethoxy]-N-methylbutan-1-amine?
The InChIKey is IFOVBGLNXZKYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-7-13(10-14-6)16-9-8-15(11(2)3)12(4)5/h11-14H,7-10H2,1-6H3.
What are the key properties of 2-[2-[di(propan-2-yl)amino]ethoxy]-N-methylbutan-1-amine?
2-[2-[di(propan-2-yl)amino]ethoxy]-N-methylbutan-1-amine has a molecular weight of 230.40 g/mol, XLogP of 2.12, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[di(propan-2-yl)amino]ethoxy]-N-methylbutan-1-amine is sourced from PubChem (CID 115505812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).