2-N-methyl-2-N-(2-propan-2-yloxyethyl)cyclooctane-1,2-diamine

C14H30N2O — CID 81056474

IUPAC2-N-methyl-2-N-(2-propan-2-yloxyethyl)cyclooctane-1,2-diamine
SMILESCC(C)OCCN(C)C1CCCCCCC1N
InChIInChI=1S/C14H30N2O/c1-12(2)17-11-10-16(3)14-9-7-5-4-6-8-13(14)15/h12-14H,4-11,15H2,1-3H3
InChIKeyCPVQMYPMJWZDAE-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.39
Rot. Bonds5

About 2-N-methyl-2-N-(2-propan-2-yloxyethyl)cyclooctane-1,2-diamine

2-N-methyl-2-N-(2-propan-2-yloxyethyl)cyclooctane-1,2-diamine (PubChem CID 81056474) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 2-N-methyl-2-N-(2-propan-2-yloxyethyl)cyclooctane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-(2-propan-2-yloxyethyl)cyclooctane-1,2-diamine
PubChem CID81056474
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name2-N-methyl-2-N-(2-propan-2-yloxyethyl)cyclooctane-1,2-diamine
SMILESCC(C)OCCN(C)C1CCCCCCC1N
InChIInChI=1S/C14H30N2O/c1-12(2)17-11-10-16(3)14-9-7-5-4-6-8-13(14)15/h12-14H,4-11,15H2,1-3H3
InChIKeyCPVQMYPMJWZDAE-UHFFFAOYSA-N
XLogP2.39
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(2-methoxyethyl)-2-N-methylcyclooctane-1,2-diamine
CID 61427471
2-N-(3-methoxypropyl)-2-N-methylcyclododecane-1,2-diamine
CID 63468227
2-N-methyl-2-N-(2-methylbutyl)cyclododecane-1,2-diamine
CID 43295671
2-N-(4-methoxybutyl)-2-N-methylcyclohexane-1,2-diamine
CID 102639927
2-N-methyl-4-(2-methylbutan-2-yl)-2-N-(2-propan-2-yloxyethyl)cyclohexane-1,2-diamine
CID 81055494
2-N-ethyl-2-N-methylcyclododecane-1,2-diamine
CID 43263336
2-(aminomethyl)-N,5-dimethyl-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine
CID 81058683
2-N-methyl-2-N-(2-methylsulfanylethyl)cyclohexane-1,2-diamine
CID 112663651
2-(2-aminocyclohexyl)-N-methyl-N-(2-propan-2-yloxyethyl)acetamide
CID 81074151
1-N-butyl-1-N-methylcyclopentane-1,2-diamine
CID 43184025
N'-cyclohexyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine
CID 63759697
2-N-propan-2-yl-2-N-propylcyclododecane-1,2-diamine
CID 43269481

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-(2-propan-2-yloxyethyl)cyclooctane-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-(2-propan-2-yloxyethyl)cyclooctane-1,2-diamine (CID 81056474) is 2-N-methyl-2-N-(2-propan-2-yloxyethyl)cyclooctane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-(2-propan-2-yloxyethyl)cyclooctane-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-(2-propan-2-yloxyethyl)cyclooctane-1,2-diamine is CC(C)OCCN(C)C1CCCCCCC1N.
What is the InChIKey of 2-N-methyl-2-N-(2-propan-2-yloxyethyl)cyclooctane-1,2-diamine?
The InChIKey is CPVQMYPMJWZDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-12(2)17-11-10-16(3)14-9-7-5-4-6-8-13(14)15/h12-14H,4-11,15H2,1-3H3.
What are the key properties of 2-N-methyl-2-N-(2-propan-2-yloxyethyl)cyclooctane-1,2-diamine?
2-N-methyl-2-N-(2-propan-2-yloxyethyl)cyclooctane-1,2-diamine has a molecular weight of 242.41 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-(2-propan-2-yloxyethyl)cyclooctane-1,2-diamine is sourced from PubChem (CID 81056474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).