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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Related Compounds

N-[[2-(aminomethyl)cyclopentyl]methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine
CID 82953790
4,4-dimethyl-2-(propoxymethyl)cyclohexan-1-amine
CID 81014415
2-[2-[bis(2-ethoxyethyl)amino]ethyl]cyclopentan-1-amine
CID 82965281
2-N-[(2-amino-5,5-dimethylcyclohexyl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191308
4,4-dimethyl-2-[[2-methylpropyl(pentan-3-yl)amino]methyl]cyclohexan-1-amine
CID 79490016
2-[2-[2-ethoxyethyl(ethyl)amino]ethyl]cyclopentan-1-amine
CID 79566140
2-hexyl-4,4-dimethylcyclohexan-1-amine
CID 81013830
2-[[bis(2-ethoxyethyl)amino]methyl]-N-propylcyclopentan-1-amine
CID 82939975
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine
CID 82954753
2-[2-(3-methoxypropoxy)ethoxy]-4,4-dimethylcyclohexan-1-amine
CID 103177313
2-[[bis(3-methylbutyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 107871182
2-ethoxy-N-(2-ethoxyethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 82954746

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).