N-(cyclohexylmethyl)-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine

C15H32N2O2 — CID 62561222

IUPACN-(cyclohexylmethyl)-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine
SMILESCOCCN(CCNCC1CCCCC1)CCOC
InChIInChI=1S/C15H32N2O2/c1-18-12-10-17(11-13-19-2)9-8-16-14-15-6-4-3-5-7-15/h15-16H,3-14H2,1-2H3
InChIKeyDVOZZFYXWGLWRS-UHFFFAOYSA-N
MW272.43 g/mol
LogP1.75
Rot. Bonds11

About N-(cyclohexylmethyl)-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine

N-(cyclohexylmethyl)-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine (PubChem CID 62561222) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine
PubChem CID62561222
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC NameN-(cyclohexylmethyl)-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine
SMILESCOCCN(CCNCC1CCCCC1)CCOC
InChIInChI=1S/C15H32N2O2/c1-18-12-10-17(11-13-19-2)9-8-16-14-15-6-4-3-5-7-15/h15-16H,3-14H2,1-2H3
InChIKeyDVOZZFYXWGLWRS-UHFFFAOYSA-N
XLogP1.75
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine?
The IUPAC name of N-(cyclohexylmethyl)-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine (CID 62561222) is N-(cyclohexylmethyl)-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine.
What is the SMILES notation for N-(cyclohexylmethyl)-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine?
The canonical SMILES for N-(cyclohexylmethyl)-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine is COCCN(CCNCC1CCCCC1)CCOC.
What is the InChIKey of N-(cyclohexylmethyl)-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine?
The InChIKey is DVOZZFYXWGLWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2/c1-18-12-10-17(11-13-19-2)9-8-16-14-15-6-4-3-5-7-15/h15-16H,3-14H2,1-2H3.
What are the key properties of N-(cyclohexylmethyl)-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine?
N-(cyclohexylmethyl)-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine has a molecular weight of 272.43 g/mol, XLogP of 1.75, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine is sourced from PubChem (CID 62561222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).