1-N-(2-methoxyethyl)-1-N-(1-methoxypropan-2-yl)-2-N,3,3-trimethylcyclohexane-1,2-diamine

C16H34N2O2 — CID 79828530

IUPAC1-N-(2-methoxyethyl)-1-N-(1-methoxypropan-2-yl)-2-N,3,3-trimethylcyclohexane-1,2-diamine
SMILESCNC1C(N(CCOC)C(C)COC)CCCC1(C)C
InChIInChI=1S/C16H34N2O2/c1-13(12-20-6)18(10-11-19-5)14-8-7-9-16(2,3)15(14)17-4/h13-15,17H,7-12H2,1-6H3
InChIKeyFXKQKGLDDMIOKR-UHFFFAOYSA-N
MW286.46 g/mol
LogP2.14
Rot. Bonds8

About 1-N-(2-methoxyethyl)-1-N-(1-methoxypropan-2-yl)-2-N,3,3-trimethylcyclohexane-1,2-diamine

1-N-(2-methoxyethyl)-1-N-(1-methoxypropan-2-yl)-2-N,3,3-trimethylcyclohexane-1,2-diamine (PubChem CID 79828530) has the molecular formula C16H34N2O2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 1-N-(2-methoxyethyl)-1-N-(1-methoxypropan-2-yl)-2-N,3,3-trimethylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-methoxyethyl)-1-N-(1-methoxypropan-2-yl)-2-N,3,3-trimethylcyclohexane-1,2-diamine
PubChem CID79828530
Molecular FormulaC16H34N2O2
Molecular Weight286.46 g/mol
Exact Mass286.26
IUPAC Name1-N-(2-methoxyethyl)-1-N-(1-methoxypropan-2-yl)-2-N,3,3-trimethylcyclohexane-1,2-diamine
SMILESCNC1C(N(CCOC)C(C)COC)CCCC1(C)C
InChIInChI=1S/C16H34N2O2/c1-13(12-20-6)18(10-11-19-5)14-8-7-9-16(2,3)15(14)17-4/h13-15,17H,7-12H2,1-6H3
InChIKeyFXKQKGLDDMIOKR-UHFFFAOYSA-N
XLogP2.14
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-N-(2-methoxyethyl)-1-N-(1-methoxypropan-2-yl)-2-N,3,3-trimethylcyclohexane-1,2-diamine with MolForge

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Related Compounds

1-N-(2-methoxyethyl)-2-N,3,3-trimethyl-1-N-pentan-3-ylcyclohexane-1,2-diamine
CID 79829504
1-N-(2-methoxyethyl)-2-N,3,3-trimethyl-1-N-pentan-3-ylcyclopentane-1,2-diamine
CID 79859981
1-N-(1-methoxypropan-2-yl)-1-N,2-N,3,3-tetramethylcyclopentane-1,2-diamine
CID 79859815
2-N,3,3-trimethyl-1-N-propan-2-yl-1-N-propylcyclohexane-1,2-diamine
CID 79828904
1-N-(3-methoxypropyl)-1-N,2-N,3,3-tetramethylcyclohexane-1,2-diamine
CID 79828541
2-N-ethyl-1-N-(1-methoxypropan-2-yl)-1-N,3,3-trimethylcyclohexane-1,2-diamine
CID 79828606
2-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)cyclopentan-1-amine
CID 55000765
1-N-ethyl-1-N-(1-methoxypropan-2-yl)-3,3-dimethylcyclohexane-1,2-diamine
CID 79828360
2-N-(2-methoxyethyl)-1-N-methyl-2-N-propan-2-ylcyclohexane-1,2-diamine
CID 82948123
2-N,3,3-trimethyl-1-N,1-N-bis(3-methylbutyl)cyclohexane-1,2-diamine
CID 107869702
1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)-2-N,3,3-trimethylcyclopentane-1,2-diamine
CID 79860132
1-N-ethyl-2-N,3,3-trimethyl-1-N-(2-methylbutyl)cyclohexane-1,2-diamine
CID 79829289

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methoxyethyl)-1-N-(1-methoxypropan-2-yl)-2-N,3,3-trimethylcyclohexane-1,2-diamine?
The IUPAC name of 1-N-(2-methoxyethyl)-1-N-(1-methoxypropan-2-yl)-2-N,3,3-trimethylcyclohexane-1,2-diamine (CID 79828530) is 1-N-(2-methoxyethyl)-1-N-(1-methoxypropan-2-yl)-2-N,3,3-trimethylcyclohexane-1,2-diamine.
What is the SMILES notation for 1-N-(2-methoxyethyl)-1-N-(1-methoxypropan-2-yl)-2-N,3,3-trimethylcyclohexane-1,2-diamine?
The canonical SMILES for 1-N-(2-methoxyethyl)-1-N-(1-methoxypropan-2-yl)-2-N,3,3-trimethylcyclohexane-1,2-diamine is CNC1C(N(CCOC)C(C)COC)CCCC1(C)C.
What is the InChIKey of 1-N-(2-methoxyethyl)-1-N-(1-methoxypropan-2-yl)-2-N,3,3-trimethylcyclohexane-1,2-diamine?
The InChIKey is FXKQKGLDDMIOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O2/c1-13(12-20-6)18(10-11-19-5)14-8-7-9-16(2,3)15(14)17-4/h13-15,17H,7-12H2,1-6H3.
What are the key properties of 1-N-(2-methoxyethyl)-1-N-(1-methoxypropan-2-yl)-2-N,3,3-trimethylcyclohexane-1,2-diamine?
1-N-(2-methoxyethyl)-1-N-(1-methoxypropan-2-yl)-2-N,3,3-trimethylcyclohexane-1,2-diamine has a molecular weight of 286.46 g/mol, XLogP of 2.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-methoxyethyl)-1-N-(1-methoxypropan-2-yl)-2-N,3,3-trimethylcyclohexane-1,2-diamine is sourced from PubChem (CID 79828530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).