3-ethyl-2-N,3-N,3-N-trimethyl-1-propan-2-yloxypentane-2,3-diamine

C13H30N2O — CID 79568715

IUPAC3-ethyl-2-N,3-N,3-N-trimethyl-1-propan-2-yloxypentane-2,3-diamine
SMILESCCC(CC)(C(COC(C)C)NC)N(C)C
InChIInChI=1S/C13H30N2O/c1-8-13(9-2,15(6)7)12(14-5)10-16-11(3)4/h11-12,14H,8-10H2,1-7H3
InChIKeyVGLOGDZYXBPVJM-UHFFFAOYSA-N
MW230.40 g/mol
LogP2.12
Rot. Bonds8

About 3-ethyl-2-N,3-N,3-N-trimethyl-1-propan-2-yloxypentane-2,3-diamine

3-ethyl-2-N,3-N,3-N-trimethyl-1-propan-2-yloxypentane-2,3-diamine (PubChem CID 79568715) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is 3-ethyl-2-N,3-N,3-N-trimethyl-1-propan-2-yloxypentane-2,3-diamine.

Molecular Properties

Compound Name3-ethyl-2-N,3-N,3-N-trimethyl-1-propan-2-yloxypentane-2,3-diamine
PubChem CID79568715
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC Name3-ethyl-2-N,3-N,3-N-trimethyl-1-propan-2-yloxypentane-2,3-diamine
SMILESCCC(CC)(C(COC(C)C)NC)N(C)C
InChIInChI=1S/C13H30N2O/c1-8-13(9-2,15(6)7)12(14-5)10-16-11(3)4/h11-12,14H,8-10H2,1-7H3
InChIKeyVGLOGDZYXBPVJM-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-N,3-N,3-N-trimethyl-1-propan-2-yloxypentane-2,3-diamine?
The IUPAC name of 3-ethyl-2-N,3-N,3-N-trimethyl-1-propan-2-yloxypentane-2,3-diamine (CID 79568715) is 3-ethyl-2-N,3-N,3-N-trimethyl-1-propan-2-yloxypentane-2,3-diamine.
What is the SMILES notation for 3-ethyl-2-N,3-N,3-N-trimethyl-1-propan-2-yloxypentane-2,3-diamine?
The canonical SMILES for 3-ethyl-2-N,3-N,3-N-trimethyl-1-propan-2-yloxypentane-2,3-diamine is CCC(CC)(C(COC(C)C)NC)N(C)C.
What is the InChIKey of 3-ethyl-2-N,3-N,3-N-trimethyl-1-propan-2-yloxypentane-2,3-diamine?
The InChIKey is VGLOGDZYXBPVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-8-13(9-2,15(6)7)12(14-5)10-16-11(3)4/h11-12,14H,8-10H2,1-7H3.
What are the key properties of 3-ethyl-2-N,3-N,3-N-trimethyl-1-propan-2-yloxypentane-2,3-diamine?
3-ethyl-2-N,3-N,3-N-trimethyl-1-propan-2-yloxypentane-2,3-diamine has a molecular weight of 230.40 g/mol, XLogP of 2.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-N,3-N,3-N-trimethyl-1-propan-2-yloxypentane-2,3-diamine is sourced from PubChem (CID 79568715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).