4-[[cyclohexyl(ethyl)amino]methyl]oxolan-3-amine

C13H26N2O — CID 66236915

IUPAC4-[[cyclohexyl(ethyl)amino]methyl]oxolan-3-amine
SMILESCCN(CC1COCC1N)C1CCCCC1
InChIInChI=1S/C13H26N2O/c1-2-15(12-6-4-3-5-7-12)8-11-9-16-10-13(11)14/h11-13H,2-10,14H2,1H3
InChIKeySOQGAJRRDASUFD-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.61
Rot. Bonds4

About 4-[[cyclohexyl(ethyl)amino]methyl]oxolan-3-amine

4-[[cyclohexyl(ethyl)amino]methyl]oxolan-3-amine (PubChem CID 66236915) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 4-[[cyclohexyl(ethyl)amino]methyl]oxolan-3-amine.

Molecular Properties

Compound Name4-[[cyclohexyl(ethyl)amino]methyl]oxolan-3-amine
PubChem CID66236915
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name4-[[cyclohexyl(ethyl)amino]methyl]oxolan-3-amine
SMILESCCN(CC1COCC1N)C1CCCCC1
InChIInChI=1S/C13H26N2O/c1-2-15(12-6-4-3-5-7-12)8-11-9-16-10-13(11)14/h11-13H,2-10,14H2,1H3
InChIKeySOQGAJRRDASUFD-UHFFFAOYSA-N
XLogP1.61
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[cyclohexyl(ethyl)amino]methyl]cyclohexan-1-amine
CID 55093825
4-[[cyclopentyl(ethyl)amino]methyl]-N-propyloxolan-3-amine
CID 66254473
N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N-ethylcyclohexanamine
CID 79865875
N,N-diethylcycloundecanamine
CID 163828609
2-[[cyclopentyl(ethyl)amino]methyl]-N-methylcycloheptan-1-amine
CID 62615779
4-[[methyl-(4-methylcyclohexyl)amino]methyl]oxolan-3-amine
CID 66236926
4-[[cyclopropyl(ethyl)amino]methyl]-N-propyloxolan-3-amine
CID 66256381
4-[(dimethylamino)methyl]oxolan-3-amine
CID 66237318
N-ethyl-N-[[2-(ethylamino)cyclopentyl]methyl]cyclohexanamine
CID 62614982
(3S,4S)-4-[(dimethylamino)methyl]oxolan-3-amine;dihydrochloride
CID 154842546
N-ethyl-N-[[2-(propylamino)cyclopentyl]methyl]cyclohexanamine
CID 62615159
2-N-[(4-aminooxolan-3-yl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103189582

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclohexyl(ethyl)amino]methyl]oxolan-3-amine?
The IUPAC name of 4-[[cyclohexyl(ethyl)amino]methyl]oxolan-3-amine (CID 66236915) is 4-[[cyclohexyl(ethyl)amino]methyl]oxolan-3-amine.
What is the SMILES notation for 4-[[cyclohexyl(ethyl)amino]methyl]oxolan-3-amine?
The canonical SMILES for 4-[[cyclohexyl(ethyl)amino]methyl]oxolan-3-amine is CCN(CC1COCC1N)C1CCCCC1.
What is the InChIKey of 4-[[cyclohexyl(ethyl)amino]methyl]oxolan-3-amine?
The InChIKey is SOQGAJRRDASUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-2-15(12-6-4-3-5-7-12)8-11-9-16-10-13(11)14/h11-13H,2-10,14H2,1H3.
What are the key properties of 4-[[cyclohexyl(ethyl)amino]methyl]oxolan-3-amine?
4-[[cyclohexyl(ethyl)amino]methyl]oxolan-3-amine has a molecular weight of 226.36 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclohexyl(ethyl)amino]methyl]oxolan-3-amine is sourced from PubChem (CID 66236915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).