2-N-(2-methoxyethyl)-1-N-methyl-2-N-propan-2-ylcyclohexane-1,2-diamine

C13H28N2O — CID 82948123

IUPAC2-N-(2-methoxyethyl)-1-N-methyl-2-N-propan-2-ylcyclohexane-1,2-diamine
SMILESCNC1CCCCC1N(CCOC)C(C)C
InChIInChI=1S/C13H28N2O/c1-11(2)15(9-10-16-4)13-8-6-5-7-12(13)14-3/h11-14H,5-10H2,1-4H3
InChIKeyGWBPHVNWSPJAQU-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.87
Rot. Bonds6

About 2-N-(2-methoxyethyl)-1-N-methyl-2-N-propan-2-ylcyclohexane-1,2-diamine

2-N-(2-methoxyethyl)-1-N-methyl-2-N-propan-2-ylcyclohexane-1,2-diamine (PubChem CID 82948123) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-N-(2-methoxyethyl)-1-N-methyl-2-N-propan-2-ylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-methoxyethyl)-1-N-methyl-2-N-propan-2-ylcyclohexane-1,2-diamine
PubChem CID82948123
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2-N-(2-methoxyethyl)-1-N-methyl-2-N-propan-2-ylcyclohexane-1,2-diamine
SMILESCNC1CCCCC1N(CCOC)C(C)C
InChIInChI=1S/C13H28N2O/c1-11(2)15(9-10-16-4)13-8-6-5-7-12(13)14-3/h11-14H,5-10H2,1-4H3
InChIKeyGWBPHVNWSPJAQU-UHFFFAOYSA-N
XLogP1.87
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(2-methoxyethyl)-1-N-methyl-2-N,4-di(propan-2-yl)cyclohexane-1,2-diamine
CID 82948997
2-[2-methoxyethyl(propan-2-yl)amino]cyclopentan-1-ol
CID 82960183
2-N-(3-methoxypropyl)-1-N,2-N-dimethylcyclohexane-1,2-diamine
CID 62983959
2-(aminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylcyclopentan-1-amine
CID 82948083
1-N-(2-methoxyethyl)-1-N-(1-methoxypropan-2-yl)-2-N,3,3-trimethylcyclohexane-1,2-diamine
CID 79828530
cis-(1S,2R)-2-N-benzyl-1-N-methyl-2-N-propan-2-ylcyclohexane-1,2-diamine
CID 96555697
2-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-N-methylcyclohexan-1-amine
CID 55093831
1-N-(2-methoxyethyl)-2-N,3,3-trimethyl-1-N-pentan-3-ylcyclohexane-1,2-diamine
CID 79829504
2-N-propan-2-yl-1-N,2-N-dipropylcyclooctane-1,2-diamine
CID 55194189
2-N-(2-methoxyethyl)-1-N-methyl-2-N-propan-2-yl-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 82948042
methyl 3-[2-methoxyethyl(propan-2-yl)amino]-1-(methylamino)cyclohexane-1-carboxylate
CID 82961022
1-N-(2-methoxyethyl)-2-N,3,3-trimethyl-1-N-pentan-3-ylcyclopentane-1,2-diamine
CID 79859981

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methoxyethyl)-1-N-methyl-2-N-propan-2-ylcyclohexane-1,2-diamine?
The IUPAC name of 2-N-(2-methoxyethyl)-1-N-methyl-2-N-propan-2-ylcyclohexane-1,2-diamine (CID 82948123) is 2-N-(2-methoxyethyl)-1-N-methyl-2-N-propan-2-ylcyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-(2-methoxyethyl)-1-N-methyl-2-N-propan-2-ylcyclohexane-1,2-diamine?
The canonical SMILES for 2-N-(2-methoxyethyl)-1-N-methyl-2-N-propan-2-ylcyclohexane-1,2-diamine is CNC1CCCCC1N(CCOC)C(C)C.
What is the InChIKey of 2-N-(2-methoxyethyl)-1-N-methyl-2-N-propan-2-ylcyclohexane-1,2-diamine?
The InChIKey is GWBPHVNWSPJAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-11(2)15(9-10-16-4)13-8-6-5-7-12(13)14-3/h11-14H,5-10H2,1-4H3.
What are the key properties of 2-N-(2-methoxyethyl)-1-N-methyl-2-N-propan-2-ylcyclohexane-1,2-diamine?
2-N-(2-methoxyethyl)-1-N-methyl-2-N-propan-2-ylcyclohexane-1,2-diamine has a molecular weight of 228.38 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methoxyethyl)-1-N-methyl-2-N-propan-2-ylcyclohexane-1,2-diamine is sourced from PubChem (CID 82948123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).