N-[2-(4,4-dimethylcyclohexyl)oxyethyl]-N',N'-diethylethane-1,2-diamine

C16H34N2O — CID 114342558

IUPACN-[2-(4,4-dimethylcyclohexyl)oxyethyl]-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNCCOC1CCC(C)(C)CC1
InChIInChI=1S/C16H34N2O/c1-5-18(6-2)13-11-17-12-14-19-15-7-9-16(3,4)10-8-15/h15,17H,5-14H2,1-4H3
InChIKeyNYWHCZWREXFAKS-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.90
Rot. Bonds9

About N-[2-(4,4-dimethylcyclohexyl)oxyethyl]-N',N'-diethylethane-1,2-diamine

N-[2-(4,4-dimethylcyclohexyl)oxyethyl]-N',N'-diethylethane-1,2-diamine (PubChem CID 114342558) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is N-[2-(4,4-dimethylcyclohexyl)oxyethyl]-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[2-(4,4-dimethylcyclohexyl)oxyethyl]-N',N'-diethylethane-1,2-diamine
PubChem CID114342558
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC NameN-[2-(4,4-dimethylcyclohexyl)oxyethyl]-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNCCOC1CCC(C)(C)CC1
InChIInChI=1S/C16H34N2O/c1-5-18(6-2)13-11-17-12-14-19-15-7-9-16(3,4)10-8-15/h15,17H,5-14H2,1-4H3
InChIKeyNYWHCZWREXFAKS-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
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

N-[2-(4,4-dimethylcyclohexyl)oxyethyl]hexan-1-amine
CID 114342569
N',N'-diethyl-N-[2-(2-methylpropoxy)ethyl]ethane-1,2-diamine
CID 62565030
N',N'-dimethyl-N-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]ethane-1,2-diamine
CID 62598860
N',N'-diethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethane-1,2-diamine
CID 62599740
N-[2-(4,4-dimethylcyclohexyl)oxyethyl]aniline
CID 114342570
N-[2-[butyl(cyclopropyl)amino]ethyl]-N',N'-diethylethane-1,2-diamine
CID 62555037
N',N'-diethyl-N-[2-(oxolan-3-ylmethoxy)ethyl]ethane-1,2-diamine
CID 62582572
N',N'-diethyl-N-[2-(oxolan-2-ylmethoxy)ethyl]ethane-1,2-diamine
CID 62573118
4-(4,4-dimethylcyclohexyl)oxy-2-(propylamino)butan-1-ol
CID 114342744
N-(2-cyclopentyloxyethyl)-2-methoxyethanamine
CID 62564778
5-(4,4-dimethylcyclohexyl)oxy-N-propan-2-ylpentan-1-amine
CID 114342406
N-(2-cyclopentyloxyethyl)hexan-1-amine
CID 62567442

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,4-dimethylcyclohexyl)oxyethyl]-N',N'-diethylethane-1,2-diamine?
The IUPAC name of N-[2-(4,4-dimethylcyclohexyl)oxyethyl]-N',N'-diethylethane-1,2-diamine (CID 114342558) is N-[2-(4,4-dimethylcyclohexyl)oxyethyl]-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for N-[2-(4,4-dimethylcyclohexyl)oxyethyl]-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for N-[2-(4,4-dimethylcyclohexyl)oxyethyl]-N',N'-diethylethane-1,2-diamine is CCN(CC)CCNCCOC1CCC(C)(C)CC1.
What is the InChIKey of N-[2-(4,4-dimethylcyclohexyl)oxyethyl]-N',N'-diethylethane-1,2-diamine?
The InChIKey is NYWHCZWREXFAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-5-18(6-2)13-11-17-12-14-19-15-7-9-16(3,4)10-8-15/h15,17H,5-14H2,1-4H3.
What are the key properties of N-[2-(4,4-dimethylcyclohexyl)oxyethyl]-N',N'-diethylethane-1,2-diamine?
N-[2-(4,4-dimethylcyclohexyl)oxyethyl]-N',N'-diethylethane-1,2-diamine has a molecular weight of 270.46 g/mol, XLogP of 2.90, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,4-dimethylcyclohexyl)oxyethyl]-N',N'-diethylethane-1,2-diamine is sourced from PubChem (CID 114342558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).