2-cyclohexyl-N-(oxolan-2-ylmethyl)ethanamine

C13H25NO — CID 60920753

IUPAC2-cyclohexyl-N-(oxolan-2-ylmethyl)ethanamine
SMILESC1CCC(CCNCC2CCCO2)CC1
InChIInChI=1S/C13H25NO/c1-2-5-12(6-3-1)8-9-14-11-13-7-4-10-15-13/h12-14H,1-11H2
InChIKeyNQLOXZHHSBZOHC-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.73
Rot. Bonds5

About 2-cyclohexyl-N-(oxolan-2-ylmethyl)ethanamine

2-cyclohexyl-N-(oxolan-2-ylmethyl)ethanamine (PubChem CID 60920753) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-cyclohexyl-N-(oxolan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-cyclohexyl-N-(oxolan-2-ylmethyl)ethanamine
PubChem CID60920753
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2-cyclohexyl-N-(oxolan-2-ylmethyl)ethanamine
SMILESC1CCC(CCNCC2CCCO2)CC1
InChIInChI=1S/C13H25NO/c1-2-5-12(6-3-1)8-9-14-11-13-7-4-10-15-13/h12-14H,1-11H2
InChIKeyNQLOXZHHSBZOHC-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-cyclohexyl-N-(oxolan-2-ylmethyl)propan-1-amine
CID 60985486
3-cyclopentyl-N-(oxolan-2-ylmethyl)propan-1-amine
CID 60985345
2-(azetidin-3-yl)-N-(oxolan-2-ylmethyl)ethanamine
CID 116679543
3-cyclopropyl-N-(oxolan-2-ylmethyl)propan-1-amine
CID 102551342
2-(2-cyclobutylethoxy)-N-(oxolan-2-ylmethyl)ethanamine
CID 106206326
N'-cyclohexyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 54806763
2-cyclononyl-N-(cyclononylmethyl)ethanamine
CID 91347612
3,3,3-trifluoro-N-(oxan-2-ylmethyl)propan-1-amine
CID 63226004
1-cyclopropyl-N-(oxolan-2-ylmethyl)methanamine
CID 3607647
2-cyclohexyl-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine
CID 79163993
N-(cyclobutylmethyl)-2-cyclohexylethanamine
CID 65457561
N-(oxan-2-ylmethyl)propan-1-amine
CID 13288217

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-(oxolan-2-ylmethyl)ethanamine?
The IUPAC name of 2-cyclohexyl-N-(oxolan-2-ylmethyl)ethanamine (CID 60920753) is 2-cyclohexyl-N-(oxolan-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-cyclohexyl-N-(oxolan-2-ylmethyl)ethanamine?
The canonical SMILES for 2-cyclohexyl-N-(oxolan-2-ylmethyl)ethanamine is C1CCC(CCNCC2CCCO2)CC1.
What is the InChIKey of 2-cyclohexyl-N-(oxolan-2-ylmethyl)ethanamine?
The InChIKey is NQLOXZHHSBZOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-2-5-12(6-3-1)8-9-14-11-13-7-4-10-15-13/h12-14H,1-11H2.
What are the key properties of 2-cyclohexyl-N-(oxolan-2-ylmethyl)ethanamine?
2-cyclohexyl-N-(oxolan-2-ylmethyl)ethanamine has a molecular weight of 211.35 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-(oxolan-2-ylmethyl)ethanamine is sourced from PubChem (CID 60920753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).