1-(aminomethyl)-3-methoxy-N-(2-methoxyethyl)cyclohexan-1-amine

C11H24N2O2 — CID 106872450

IUPAC1-(aminomethyl)-3-methoxy-N-(2-methoxyethyl)cyclohexan-1-amine
SMILESCOCCNC1(CN)CCCC(OC)C1
InChIInChI=1S/C11H24N2O2/c1-14-7-6-13-11(9-12)5-3-4-10(8-11)15-2/h10,13H,3-9,12H2,1-2H3
InChIKeyHLMJIRKTITXFAN-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.51
Rot. Bonds6

About 1-(aminomethyl)-3-methoxy-N-(2-methoxyethyl)cyclohexan-1-amine

1-(aminomethyl)-3-methoxy-N-(2-methoxyethyl)cyclohexan-1-amine (PubChem CID 106872450) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 1-(aminomethyl)-3-methoxy-N-(2-methoxyethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-3-methoxy-N-(2-methoxyethyl)cyclohexan-1-amine
PubChem CID106872450
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name1-(aminomethyl)-3-methoxy-N-(2-methoxyethyl)cyclohexan-1-amine
SMILESCOCCNC1(CN)CCCC(OC)C1
InChIInChI=1S/C11H24N2O2/c1-14-7-6-13-11(9-12)5-3-4-10(8-11)15-2/h10,13H,3-9,12H2,1-2H3
InChIKeyHLMJIRKTITXFAN-UHFFFAOYSA-N
XLogP0.51
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(aminomethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 106872619
1-(aminomethyl)-N-(2,2-difluoroethyl)-3-methoxycyclohexan-1-amine
CID 106872696
4-(aminomethyl)-2-ethyl-N-(2-methoxyethyl)oxan-4-amine
CID 64110493
4-(aminomethyl)-2-ethyl-N-(oxolan-2-ylmethyl)oxan-4-amine
CID 65376940
4-(aminomethyl)-2-ethyl-2-methyl-N-(oxolan-2-ylmethyl)oxan-4-amine
CID 65377972
4-(aminomethyl)-2-methyl-N-(oxolan-2-ylmethyl)oxan-4-amine
CID 65378393
4-(aminomethyl)-2,2-dimethyl-N-(oxolan-2-ylmethyl)oxan-4-amine
CID 65378394
4-(aminomethyl)-N-(2-methoxyethyl)-2,6-dimethyloxan-4-amine
CID 81851920
4-(aminomethyl)-2,6-dimethyl-N-[(2-methyloxolan-2-yl)methyl]oxan-4-amine
CID 81852237
4-(aminomethyl)-2,6-dimethyl-N-(oxolan-2-ylmethyl)oxan-4-amine
CID 81852385
4-(aminomethyl)-N-(2-methoxypropyl)-2,2-dimethyloxan-4-amine
CID 102697128
4-(aminomethyl)-2-ethyl-N-(2-methoxypropyl)oxan-4-amine
CID 102697130

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-3-methoxy-N-(2-methoxyethyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-3-methoxy-N-(2-methoxyethyl)cyclohexan-1-amine (CID 106872450) is 1-(aminomethyl)-3-methoxy-N-(2-methoxyethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-3-methoxy-N-(2-methoxyethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-3-methoxy-N-(2-methoxyethyl)cyclohexan-1-amine is COCCNC1(CN)CCCC(OC)C1.
What is the InChIKey of 1-(aminomethyl)-3-methoxy-N-(2-methoxyethyl)cyclohexan-1-amine?
The InChIKey is HLMJIRKTITXFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-14-7-6-13-11(9-12)5-3-4-10(8-11)15-2/h10,13H,3-9,12H2,1-2H3.
What are the key properties of 1-(aminomethyl)-3-methoxy-N-(2-methoxyethyl)cyclohexan-1-amine?
1-(aminomethyl)-3-methoxy-N-(2-methoxyethyl)cyclohexan-1-amine has a molecular weight of 216.32 g/mol, XLogP of 0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-3-methoxy-N-(2-methoxyethyl)cyclohexan-1-amine is sourced from PubChem (CID 106872450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).