1-(aminomethyl)-N-(2-ethoxyethyl)-3-methoxy-N-methylcyclohexan-1-amine

C13H28N2O2 — CID 106872689

IUPAC1-(aminomethyl)-N-(2-ethoxyethyl)-3-methoxy-N-methylcyclohexan-1-amine
SMILESCCOCCN(C)C1(CN)CCCC(OC)C1
InChIInChI=1S/C13H28N2O2/c1-4-17-9-8-15(2)13(11-14)7-5-6-12(10-13)16-3/h12H,4-11,14H2,1-3H3
InChIKeySJQKEROEFMCFQV-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.24
Rot. Bonds7

About 1-(aminomethyl)-N-(2-ethoxyethyl)-3-methoxy-N-methylcyclohexan-1-amine

1-(aminomethyl)-N-(2-ethoxyethyl)-3-methoxy-N-methylcyclohexan-1-amine (PubChem CID 106872689) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2-ethoxyethyl)-3-methoxy-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2-ethoxyethyl)-3-methoxy-N-methylcyclohexan-1-amine
PubChem CID106872689
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name1-(aminomethyl)-N-(2-ethoxyethyl)-3-methoxy-N-methylcyclohexan-1-amine
SMILESCCOCCN(C)C1(CN)CCCC(OC)C1
InChIInChI=1S/C13H28N2O2/c1-4-17-9-8-15(2)13(11-14)7-5-6-12(10-13)16-3/h12H,4-11,14H2,1-3H3
InChIKeySJQKEROEFMCFQV-UHFFFAOYSA-N
XLogP1.24
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.24
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

4-(aminomethyl)-N,2-diethyl-N-(oxolan-2-ylmethyl)oxan-4-amine
CID 64107408
4-(aminomethyl)-2-ethyl-N-(1-methoxypropan-2-yl)-N-methyloxan-4-amine
CID 64107414
4-(aminomethyl)-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)oxan-4-amine
CID 64107615
4-(aminomethyl)-N-ethyl-2,2-dimethyl-N-(oxolan-2-ylmethyl)oxan-4-amine
CID 64107818
4-(aminomethyl)-2-ethyl-N-(2-methoxyethyl)-N-(3-methoxypropyl)oxan-4-amine
CID 64107828
4-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-methyloxan-4-amine
CID 64108032
4-(aminomethyl)-2-ethyl-N-(2-methoxyethyl)-N-methyloxan-4-amine
CID 64108229
4-(aminomethyl)-N,2-diethyl-N-(1-methoxypropan-2-yl)oxan-4-amine
CID 64108246
4-(aminomethyl)-N-(2-methoxyethyl)-N,2-dimethyloxan-4-amine
CID 64108432
4-(aminomethyl)-2-ethyl-N-(2-methoxyethyl)-N,2-dimethyloxan-4-amine
CID 64108433
4-(aminomethyl)-N-(2-ethoxyethyl)-N,2-diethyloxan-4-amine
CID 64108687
4-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-2-methyloxan-4-amine
CID 64108890

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2-ethoxyethyl)-3-methoxy-N-methylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(2-ethoxyethyl)-3-methoxy-N-methylcyclohexan-1-amine (CID 106872689) is 1-(aminomethyl)-N-(2-ethoxyethyl)-3-methoxy-N-methylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(2-ethoxyethyl)-3-methoxy-N-methylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(2-ethoxyethyl)-3-methoxy-N-methylcyclohexan-1-amine is CCOCCN(C)C1(CN)CCCC(OC)C1.
What is the InChIKey of 1-(aminomethyl)-N-(2-ethoxyethyl)-3-methoxy-N-methylcyclohexan-1-amine?
The InChIKey is SJQKEROEFMCFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-4-17-9-8-15(2)13(11-14)7-5-6-12(10-13)16-3/h12H,4-11,14H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N-(2-ethoxyethyl)-3-methoxy-N-methylcyclohexan-1-amine?
1-(aminomethyl)-N-(2-ethoxyethyl)-3-methoxy-N-methylcyclohexan-1-amine has a molecular weight of 244.38 g/mol, XLogP of 1.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2-ethoxyethyl)-3-methoxy-N-methylcyclohexan-1-amine is sourced from PubChem (CID 106872689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).