1-N-(2-ethoxyethyl)-1-N,2-N-diethyl-3,3-dimethylcyclohexane-1,2-diamine

C16H34N2O — CID 79828381

IUPAC1-N-(2-ethoxyethyl)-1-N,2-N-diethyl-3,3-dimethylcyclohexane-1,2-diamine
SMILESCCNC1C(N(CC)CCOCC)CCCC1(C)C
InChIInChI=1S/C16H34N2O/c1-6-17-15-14(10-9-11-16(15,4)5)18(7-2)12-13-19-8-3/h14-15,17H,6-13H2,1-5H3
InChIKeyJQSVJUGIWIMOFW-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.90
Rot. Bonds8

About 1-N-(2-ethoxyethyl)-1-N,2-N-diethyl-3,3-dimethylcyclohexane-1,2-diamine

1-N-(2-ethoxyethyl)-1-N,2-N-diethyl-3,3-dimethylcyclohexane-1,2-diamine (PubChem CID 79828381) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 1-N-(2-ethoxyethyl)-1-N,2-N-diethyl-3,3-dimethylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-ethoxyethyl)-1-N,2-N-diethyl-3,3-dimethylcyclohexane-1,2-diamine
PubChem CID79828381
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name1-N-(2-ethoxyethyl)-1-N,2-N-diethyl-3,3-dimethylcyclohexane-1,2-diamine
SMILESCCNC1C(N(CC)CCOCC)CCCC1(C)C
InChIInChI=1S/C16H34N2O/c1-6-17-15-14(10-9-11-16(15,4)5)18(7-2)12-13-19-8-3/h14-15,17H,6-13H2,1-5H3
InChIKeyJQSVJUGIWIMOFW-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-N-(2-ethoxyethyl)-2-N-ethyl-1-N-methylcyclooctane-1,2-diamine
CID 63697025
2-N-(2-ethoxyethyl)-2-N-ethyl-1-N-propylcyclooctane-1,2-diamine
CID 63696132
2-N-ethyl-1-N-(1-methoxypropan-2-yl)-1-N,3,3-trimethylcyclohexane-1,2-diamine
CID 79828606
3-N-(2-ethoxyethyl)-1-N,3-N-diethylcyclopentane-1,3-diamine
CID 79643445
1-N-[3-(diethylamino)propyl]-1-N-ethyl-2-N,3,3-trimethylcyclohexane-1,2-diamine
CID 102992521
1-N-[3-(dimethylamino)propyl]-1-N-ethyl-2-N,3,3-trimethylcyclohexane-1,2-diamine
CID 102992323
2-N-(2-ethoxyethyl)-1-N,2-N-diethyl-4-propylcyclohexane-1,2-diamine
CID 63697377
1-N,1-N-bis(cyclopropylmethyl)-2-N-ethyl-3,3-dimethylcyclopentane-1,2-diamine
CID 79859850
2-N-ethyl-1-N,3,3-trimethyl-1-N-(2-methylcyclohexyl)cyclohexane-1,2-diamine
CID 79828933
2-N-ethyl-1-N,3,3-trimethyl-1-N-(4-methylpentan-2-yl)cyclohexane-1,2-diamine
CID 79829501
1-N-(cyclobutylmethyl)-1-N-ethyl-3,3-dimethyl-2-N-propylcyclohexane-1,2-diamine
CID 107398176
2-N-ethyl-1-N-(2-methoxyethyl)-1-N,3,3-trimethylcyclopentane-1,2-diamine
CID 79859559

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-ethoxyethyl)-1-N,2-N-diethyl-3,3-dimethylcyclohexane-1,2-diamine?
The IUPAC name of 1-N-(2-ethoxyethyl)-1-N,2-N-diethyl-3,3-dimethylcyclohexane-1,2-diamine (CID 79828381) is 1-N-(2-ethoxyethyl)-1-N,2-N-diethyl-3,3-dimethylcyclohexane-1,2-diamine.
What is the SMILES notation for 1-N-(2-ethoxyethyl)-1-N,2-N-diethyl-3,3-dimethylcyclohexane-1,2-diamine?
The canonical SMILES for 1-N-(2-ethoxyethyl)-1-N,2-N-diethyl-3,3-dimethylcyclohexane-1,2-diamine is CCNC1C(N(CC)CCOCC)CCCC1(C)C.
What is the InChIKey of 1-N-(2-ethoxyethyl)-1-N,2-N-diethyl-3,3-dimethylcyclohexane-1,2-diamine?
The InChIKey is JQSVJUGIWIMOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-6-17-15-14(10-9-11-16(15,4)5)18(7-2)12-13-19-8-3/h14-15,17H,6-13H2,1-5H3.
What are the key properties of 1-N-(2-ethoxyethyl)-1-N,2-N-diethyl-3,3-dimethylcyclohexane-1,2-diamine?
1-N-(2-ethoxyethyl)-1-N,2-N-diethyl-3,3-dimethylcyclohexane-1,2-diamine has a molecular weight of 270.46 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-ethoxyethyl)-1-N,2-N-diethyl-3,3-dimethylcyclohexane-1,2-diamine is sourced from PubChem (CID 79828381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).