2-(aminomethyl)-5-ethyl-N-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine

C15H30N2O — CID 61431165

IUPAC2-(aminomethyl)-5-ethyl-N-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
SMILESCCC1CCC(CN)C(N(C)CC2CCCO2)C1
InChIInChI=1S/C15H30N2O/c1-3-12-6-7-13(10-16)15(9-12)17(2)11-14-5-4-8-18-14/h12-15H,3-11,16H2,1-2H3
InChIKeyQWZTYXXLKQHCML-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.25
Rot. Bonds5

About 2-(aminomethyl)-5-ethyl-N-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine

2-(aminomethyl)-5-ethyl-N-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine (PubChem CID 61431165) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-(aminomethyl)-5-ethyl-N-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-(aminomethyl)-5-ethyl-N-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
PubChem CID61431165
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name2-(aminomethyl)-5-ethyl-N-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
SMILESCCC1CCC(CN)C(N(C)CC2CCCO2)C1
InChIInChI=1S/C15H30N2O/c1-3-12-6-7-13(10-16)15(9-12)17(2)11-14-5-4-8-18-14/h12-15H,3-11,16H2,1-2H3
InChIKeyQWZTYXXLKQHCML-UHFFFAOYSA-N
XLogP2.25
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)-5-propylcyclohexan-1-amine
CID 61431166
4-ethyl-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-ol
CID 62610434
2-N-methyl-4-(2-methylbutan-2-yl)-2-N-(oxolan-2-ylmethyl)cyclohexane-1,2-diamine
CID 61431444
cis-(1R,2S)-2-N-methyl-2-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1,2-diamine
CID 129430640
2-(aminomethyl)-5-ethyl-N-methyl-N-propan-2-ylcyclohexan-1-amine
CID 43293397
2-(aminomethyl)-5-ethyl-N-(2-methoxyethyl)-N-methylcyclohexan-1-amine
CID 61427073
2-(aminomethyl)-5-tert-butyl-N-ethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 61433986
2-(aminomethyl)-N-cyclohexyl-5-ethyl-N-methylcyclohexan-1-amine
CID 43329364
N-[2-(aminomethyl)-5-ethylcyclohexyl]-N-methylcycloheptanamine
CID 43613832
2-N-(cyclopentylmethyl)-4-ethyl-2-N-methylcyclohexane-1,2-diamine
CID 63632460
2-N-methyl-2-N-(oxan-2-ylmethyl)cyclooctane-1,2-diamine
CID 61431779
2-(aminomethyl)-5-ethyl-N-methyl-N-(3-methylbutan-2-yl)cyclohexan-1-amine
CID 43569707

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-ethyl-N-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 2-(aminomethyl)-5-ethyl-N-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine (CID 61431165) is 2-(aminomethyl)-5-ethyl-N-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 2-(aminomethyl)-5-ethyl-N-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 2-(aminomethyl)-5-ethyl-N-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine is CCC1CCC(CN)C(N(C)CC2CCCO2)C1.
What is the InChIKey of 2-(aminomethyl)-5-ethyl-N-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine?
The InChIKey is QWZTYXXLKQHCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-3-12-6-7-13(10-16)15(9-12)17(2)11-14-5-4-8-18-14/h12-15H,3-11,16H2,1-2H3.
What are the key properties of 2-(aminomethyl)-5-ethyl-N-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine?
2-(aminomethyl)-5-ethyl-N-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine has a molecular weight of 254.42 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-ethyl-N-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 61431165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).