N,N'-diethyl-N'-(1-methoxypropan-2-yl)-2,2-dimethylpropane-1,3-diamine

C13H30N2O — CID 62256582

IUPACN,N'-diethyl-N'-(1-methoxypropan-2-yl)-2,2-dimethylpropane-1,3-diamine
SMILESCCNCC(C)(C)CN(CC)C(C)COC
InChIInChI=1S/C13H30N2O/c1-7-14-10-13(4,5)11-15(8-2)12(3)9-16-6/h12,14H,7-11H2,1-6H3
InChIKeyGHICYURFDRBEKD-UHFFFAOYSA-N
MW230.40 g/mol
LogP1.98
Rot. Bonds9

About N,N'-diethyl-N'-(1-methoxypropan-2-yl)-2,2-dimethylpropane-1,3-diamine

N,N'-diethyl-N'-(1-methoxypropan-2-yl)-2,2-dimethylpropane-1,3-diamine (PubChem CID 62256582) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is N,N'-diethyl-N'-(1-methoxypropan-2-yl)-2,2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN,N'-diethyl-N'-(1-methoxypropan-2-yl)-2,2-dimethylpropane-1,3-diamine
PubChem CID62256582
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC NameN,N'-diethyl-N'-(1-methoxypropan-2-yl)-2,2-dimethylpropane-1,3-diamine
SMILESCCNCC(C)(C)CN(CC)C(C)COC
InChIInChI=1S/C13H30N2O/c1-7-14-10-13(4,5)11-15(8-2)12(3)9-16-6/h12,14H,7-11H2,1-6H3
InChIKeyGHICYURFDRBEKD-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N'-diethyl-N'-(1-methoxypropan-2-yl)-2,2-dimethylpropane-1,3-diamine?
The IUPAC name of N,N'-diethyl-N'-(1-methoxypropan-2-yl)-2,2-dimethylpropane-1,3-diamine (CID 62256582) is N,N'-diethyl-N'-(1-methoxypropan-2-yl)-2,2-dimethylpropane-1,3-diamine.
What is the SMILES notation for N,N'-diethyl-N'-(1-methoxypropan-2-yl)-2,2-dimethylpropane-1,3-diamine?
The canonical SMILES for N,N'-diethyl-N'-(1-methoxypropan-2-yl)-2,2-dimethylpropane-1,3-diamine is CCNCC(C)(C)CN(CC)C(C)COC.
What is the InChIKey of N,N'-diethyl-N'-(1-methoxypropan-2-yl)-2,2-dimethylpropane-1,3-diamine?
The InChIKey is GHICYURFDRBEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-7-14-10-13(4,5)11-15(8-2)12(3)9-16-6/h12,14H,7-11H2,1-6H3.
What are the key properties of N,N'-diethyl-N'-(1-methoxypropan-2-yl)-2,2-dimethylpropane-1,3-diamine?
N,N'-diethyl-N'-(1-methoxypropan-2-yl)-2,2-dimethylpropane-1,3-diamine has a molecular weight of 230.40 g/mol, XLogP of 1.98, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diethyl-N'-(1-methoxypropan-2-yl)-2,2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 62256582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).