N'-(1-butoxypropan-2-yl)-N-(1-methoxypropan-2-yl)ethane-1,2-diamine

C13H30N2O2 — CID 54250491

IUPACN'-(1-butoxypropan-2-yl)-N-(1-methoxypropan-2-yl)ethane-1,2-diamine
SMILESCCCCOCC(C)NCCNC(C)COC
InChIInChI=1S/C13H30N2O2/c1-5-6-9-17-11-13(3)15-8-7-14-12(2)10-16-4/h12-15H,5-11H2,1-4H3
InChIKeyQWJQQETZYQIVKI-UHFFFAOYSA-N
MW246.39 g/mol
LogP1.41
Rot. Bonds12

About N'-(1-butoxypropan-2-yl)-N-(1-methoxypropan-2-yl)ethane-1,2-diamine

N'-(1-butoxypropan-2-yl)-N-(1-methoxypropan-2-yl)ethane-1,2-diamine (PubChem CID 54250491) has the molecular formula C13H30N2O2 and a molecular weight of 246.39 g/mol. Its IUPAC name is N'-(1-butoxypropan-2-yl)-N-(1-methoxypropan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1-butoxypropan-2-yl)-N-(1-methoxypropan-2-yl)ethane-1,2-diamine
PubChem CID54250491
Molecular FormulaC13H30N2O2
Molecular Weight246.39 g/mol
Exact Mass246.23
IUPAC NameN'-(1-butoxypropan-2-yl)-N-(1-methoxypropan-2-yl)ethane-1,2-diamine
SMILESCCCCOCC(C)NCCNC(C)COC
InChIInChI=1S/C13H30N2O2/c1-5-6-9-17-11-13(3)15-8-7-14-12(2)10-16-4/h12-15H,5-11H2,1-4H3
InChIKeyQWJQQETZYQIVKI-UHFFFAOYSA-N
XLogP1.41
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(1-butoxypropan-2-yl)-N-(1-methoxypropan-2-yl)ethane-1,2-diamine?
The IUPAC name of N'-(1-butoxypropan-2-yl)-N-(1-methoxypropan-2-yl)ethane-1,2-diamine (CID 54250491) is N'-(1-butoxypropan-2-yl)-N-(1-methoxypropan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(1-butoxypropan-2-yl)-N-(1-methoxypropan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(1-butoxypropan-2-yl)-N-(1-methoxypropan-2-yl)ethane-1,2-diamine is CCCCOCC(C)NCCNC(C)COC.
What is the InChIKey of N'-(1-butoxypropan-2-yl)-N-(1-methoxypropan-2-yl)ethane-1,2-diamine?
The InChIKey is QWJQQETZYQIVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O2/c1-5-6-9-17-11-13(3)15-8-7-14-12(2)10-16-4/h12-15H,5-11H2,1-4H3.
What are the key properties of N'-(1-butoxypropan-2-yl)-N-(1-methoxypropan-2-yl)ethane-1,2-diamine?
N'-(1-butoxypropan-2-yl)-N-(1-methoxypropan-2-yl)ethane-1,2-diamine has a molecular weight of 246.39 g/mol, XLogP of 1.41, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-butoxypropan-2-yl)-N-(1-methoxypropan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 54250491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).