2-cyclohexyl-N-(2-methoxyethyl)-3-(oxolan-2-yl)prop-2-en-1-amine

C16H29NO2 — CID 115278812

IUPAC2-cyclohexyl-N-(2-methoxyethyl)-3-(oxolan-2-yl)prop-2-en-1-amine
SMILESCOCCNCC(=CC1CCCO1)C1CCCCC1
InChIInChI=1S/C16H29NO2/c1-18-11-9-17-13-15(12-16-8-5-10-19-16)14-6-3-2-4-7-14/h12,14,16-17H,2-11,13H2,1H3
InChIKeyDTDOXJBZYLHIKT-UHFFFAOYSA-N
MW267.41 g/mol
LogP2.91
Rot. Bonds7

About 2-cyclohexyl-N-(2-methoxyethyl)-3-(oxolan-2-yl)prop-2-en-1-amine

2-cyclohexyl-N-(2-methoxyethyl)-3-(oxolan-2-yl)prop-2-en-1-amine (PubChem CID 115278812) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 2-cyclohexyl-N-(2-methoxyethyl)-3-(oxolan-2-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-cyclohexyl-N-(2-methoxyethyl)-3-(oxolan-2-yl)prop-2-en-1-amine
PubChem CID115278812
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name2-cyclohexyl-N-(2-methoxyethyl)-3-(oxolan-2-yl)prop-2-en-1-amine
SMILESCOCCNCC(=CC1CCCO1)C1CCCCC1
InChIInChI=1S/C16H29NO2/c1-18-11-9-17-13-15(12-16-8-5-10-19-16)14-6-3-2-4-7-14/h12,14,16-17H,2-11,13H2,1H3
InChIKeyDTDOXJBZYLHIKT-UHFFFAOYSA-N
XLogP2.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-(2-methoxyethyl)-3-(oxolan-2-yl)prop-2-en-1-amine?
The IUPAC name of 2-cyclohexyl-N-(2-methoxyethyl)-3-(oxolan-2-yl)prop-2-en-1-amine (CID 115278812) is 2-cyclohexyl-N-(2-methoxyethyl)-3-(oxolan-2-yl)prop-2-en-1-amine.
What is the SMILES notation for 2-cyclohexyl-N-(2-methoxyethyl)-3-(oxolan-2-yl)prop-2-en-1-amine?
The canonical SMILES for 2-cyclohexyl-N-(2-methoxyethyl)-3-(oxolan-2-yl)prop-2-en-1-amine is COCCNCC(=CC1CCCO1)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-N-(2-methoxyethyl)-3-(oxolan-2-yl)prop-2-en-1-amine?
The InChIKey is DTDOXJBZYLHIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-18-11-9-17-13-15(12-16-8-5-10-19-16)14-6-3-2-4-7-14/h12,14,16-17H,2-11,13H2,1H3.
What are the key properties of 2-cyclohexyl-N-(2-methoxyethyl)-3-(oxolan-2-yl)prop-2-en-1-amine?
2-cyclohexyl-N-(2-methoxyethyl)-3-(oxolan-2-yl)prop-2-en-1-amine has a molecular weight of 267.41 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-(2-methoxyethyl)-3-(oxolan-2-yl)prop-2-en-1-amine is sourced from PubChem (CID 115278812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).