1-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2,5-dimethylcyclohexan-1-amine

C16H34N2O2 — CID 64762174

IUPAC1-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2,5-dimethylcyclohexan-1-amine
SMILESCOCCCN(CCOC)C1(CN)CC(C)CCC1C
InChIInChI=1S/C16H34N2O2/c1-14-6-7-15(2)16(12-14,13-17)18(9-11-20-4)8-5-10-19-3/h14-15H,5-13,17H2,1-4H3
InChIKeyOFTQPCVKVIMYSR-UHFFFAOYSA-N
MW286.46 g/mol
LogP2.12
Rot. Bonds9

About 1-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2,5-dimethylcyclohexan-1-amine

1-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2,5-dimethylcyclohexan-1-amine (PubChem CID 64762174) has the molecular formula C16H34N2O2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2,5-dimethylcyclohexan-1-amine
PubChem CID64762174
Molecular FormulaC16H34N2O2
Molecular Weight286.46 g/mol
Exact Mass286.26
IUPAC Name1-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2,5-dimethylcyclohexan-1-amine
SMILESCOCCCN(CCOC)C1(CN)CC(C)CCC1C
InChIInChI=1S/C16H34N2O2/c1-14-6-7-15(2)16(12-14,13-17)18(9-11-20-4)8-5-10-19-3/h14-15H,5-13,17H2,1-4H3
InChIKeyOFTQPCVKVIMYSR-UHFFFAOYSA-N
XLogP2.12
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 52.12
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 1-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2,5-dimethylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2,5-dimethylcyclohexan-1-amine (CID 64762174) is 1-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2,5-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2,5-dimethylcyclohexan-1-amine is COCCCN(CCOC)C1(CN)CC(C)CCC1C.
What is the InChIKey of 1-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2,5-dimethylcyclohexan-1-amine?
The InChIKey is OFTQPCVKVIMYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O2/c1-14-6-7-15(2)16(12-14,13-17)18(9-11-20-4)8-5-10-19-3/h14-15H,5-13,17H2,1-4H3.
What are the key properties of 1-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2,5-dimethylcyclohexan-1-amine?
1-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2,5-dimethylcyclohexan-1-amine has a molecular weight of 286.46 g/mol, XLogP of 2.12, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64762174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).