2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)cyclohexane-1,2-diamine

C13H28N2O2 — CID 55004875

IUPAC2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)cyclohexane-1,2-diamine
SMILESCOCCN(C(C)COC)C1CCCCC1N
InChIInChI=1S/C13H28N2O2/c1-11(10-17-3)15(8-9-16-2)13-7-5-4-6-12(13)14/h11-13H,4-10,14H2,1-3H3
InChIKeyRPWRTSRMAVMUOO-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.24
Rot. Bonds7

About 2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)cyclohexane-1,2-diamine

2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)cyclohexane-1,2-diamine (PubChem CID 55004875) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)cyclohexane-1,2-diamine
PubChem CID55004875
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)cyclohexane-1,2-diamine
SMILESCOCCN(C(C)COC)C1CCCCC1N
InChIInChI=1S/C13H28N2O2/c1-11(10-17-3)15(8-9-16-2)13-7-5-4-6-12(13)14/h11-13H,4-10,14H2,1-3H3
InChIKeyRPWRTSRMAVMUOO-UHFFFAOYSA-N
XLogP1.24
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)cyclohexane-1,2-diamine?
The IUPAC name of 2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)cyclohexane-1,2-diamine (CID 55004875) is 2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)cyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)cyclohexane-1,2-diamine?
The canonical SMILES for 2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)cyclohexane-1,2-diamine is COCCN(C(C)COC)C1CCCCC1N.
What is the InChIKey of 2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)cyclohexane-1,2-diamine?
The InChIKey is RPWRTSRMAVMUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-11(10-17-3)15(8-9-16-2)13-7-5-4-6-12(13)14/h11-13H,4-10,14H2,1-3H3.
What are the key properties of 2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)cyclohexane-1,2-diamine?
2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)cyclohexane-1,2-diamine has a molecular weight of 244.38 g/mol, XLogP of 1.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)cyclohexane-1,2-diamine is sourced from PubChem (CID 55004875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).