2-[[bis(2-ethoxyethyl)amino]methyl]-4,4-dimethylcyclohexan-1-amine

C17H36N2O2 — CID 82942066

IUPAC2-[[bis(2-ethoxyethyl)amino]methyl]-4,4-dimethylcyclohexan-1-amine
SMILESCCOCCN(CCOCC)CC1CC(C)(C)CCC1N
InChIInChI=1S/C17H36N2O2/c1-5-20-11-9-19(10-12-21-6-2)14-15-13-17(3,4)8-7-16(15)18/h15-16H,5-14,18H2,1-4H3
InChIKeyTXGWRJRQONGHLH-UHFFFAOYSA-N
MW300.49 g/mol
LogP2.52
Rot. Bonds10

About 2-[[bis(2-ethoxyethyl)amino]methyl]-4,4-dimethylcyclohexan-1-amine

2-[[bis(2-ethoxyethyl)amino]methyl]-4,4-dimethylcyclohexan-1-amine (PubChem CID 82942066) has the molecular formula C17H36N2O2 and a molecular weight of 300.49 g/mol. Its IUPAC name is 2-[[bis(2-ethoxyethyl)amino]methyl]-4,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[[bis(2-ethoxyethyl)amino]methyl]-4,4-dimethylcyclohexan-1-amine
PubChem CID82942066
Molecular FormulaC17H36N2O2
Molecular Weight300.49 g/mol
Exact Mass300.28
IUPAC Name2-[[bis(2-ethoxyethyl)amino]methyl]-4,4-dimethylcyclohexan-1-amine
SMILESCCOCCN(CCOCC)CC1CC(C)(C)CCC1N
InChIInChI=1S/C17H36N2O2/c1-5-20-11-9-19(10-12-21-6-2)14-15-13-17(3,4)8-7-16(15)18/h15-16H,5-14,18H2,1-4H3
InChIKeyTXGWRJRQONGHLH-UHFFFAOYSA-N
XLogP2.52
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.49
LogP ≤ 52.52
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 2-[[bis(2-ethoxyethyl)amino]methyl]-4,4-dimethylcyclohexan-1-amine?
The IUPAC name of 2-[[bis(2-ethoxyethyl)amino]methyl]-4,4-dimethylcyclohexan-1-amine (CID 82942066) is 2-[[bis(2-ethoxyethyl)amino]methyl]-4,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for 2-[[bis(2-ethoxyethyl)amino]methyl]-4,4-dimethylcyclohexan-1-amine?
The canonical SMILES for 2-[[bis(2-ethoxyethyl)amino]methyl]-4,4-dimethylcyclohexan-1-amine is CCOCCN(CCOCC)CC1CC(C)(C)CCC1N.
What is the InChIKey of 2-[[bis(2-ethoxyethyl)amino]methyl]-4,4-dimethylcyclohexan-1-amine?
The InChIKey is TXGWRJRQONGHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O2/c1-5-20-11-9-19(10-12-21-6-2)14-15-13-17(3,4)8-7-16(15)18/h15-16H,5-14,18H2,1-4H3.
What are the key properties of 2-[[bis(2-ethoxyethyl)amino]methyl]-4,4-dimethylcyclohexan-1-amine?
2-[[bis(2-ethoxyethyl)amino]methyl]-4,4-dimethylcyclohexan-1-amine has a molecular weight of 300.49 g/mol, XLogP of 2.52, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[bis(2-ethoxyethyl)amino]methyl]-4,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 82942066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).