N'-ethyl-N'-(1-methoxypropan-2-yl)-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine

C14H30N2O2 — CID 62554677

IUPACN'-ethyl-N'-(1-methoxypropan-2-yl)-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine
SMILESCCN(CCNC(C)C1CCCO1)C(C)COC
InChIInChI=1S/C14H30N2O2/c1-5-16(12(2)11-17-4)9-8-15-13(3)14-7-6-10-18-14/h12-15H,5-11H2,1-4H3
InChIKeyGVUPUNUXYWMZOQ-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.50
Rot. Bonds9

About N'-ethyl-N'-(1-methoxypropan-2-yl)-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine

N'-ethyl-N'-(1-methoxypropan-2-yl)-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine (PubChem CID 62554677) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N'-ethyl-N'-(1-methoxypropan-2-yl)-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(1-methoxypropan-2-yl)-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine
PubChem CID62554677
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC NameN'-ethyl-N'-(1-methoxypropan-2-yl)-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine
SMILESCCN(CCNC(C)C1CCCO1)C(C)COC
InChIInChI=1S/C14H30N2O2/c1-5-16(12(2)11-17-4)9-8-15-13(3)14-7-6-10-18-14/h12-15H,5-11H2,1-4H3
InChIKeyGVUPUNUXYWMZOQ-UHFFFAOYSA-N
XLogP1.50
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(1-methoxypropan-2-yl)-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-(1-methoxypropan-2-yl)-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine (CID 62554677) is N'-ethyl-N'-(1-methoxypropan-2-yl)-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-(1-methoxypropan-2-yl)-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-(1-methoxypropan-2-yl)-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine is CCN(CCNC(C)C1CCCO1)C(C)COC.
What is the InChIKey of N'-ethyl-N'-(1-methoxypropan-2-yl)-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine?
The InChIKey is GVUPUNUXYWMZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-5-16(12(2)11-17-4)9-8-15-13(3)14-7-6-10-18-14/h12-15H,5-11H2,1-4H3.
What are the key properties of N'-ethyl-N'-(1-methoxypropan-2-yl)-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine?
N'-ethyl-N'-(1-methoxypropan-2-yl)-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine has a molecular weight of 258.41 g/mol, XLogP of 1.50, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(1-methoxypropan-2-yl)-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 62554677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).