N-(cyclohex-3-en-1-ylmethyl)-1-(2-methoxyethyl)piperidin-3-amine

C15H28N2O — CID 75431555

IUPACN-(cyclohex-3-en-1-ylmethyl)-1-(2-methoxyethyl)piperidin-3-amine
SMILESCOCCN1CCCC(NCC2CC=CCC2)C1
InChIInChI=1S/C15H28N2O/c1-18-11-10-17-9-5-8-15(13-17)16-12-14-6-3-2-4-7-14/h2-3,14-16H,4-13H2,1H3
InChIKeyUOCYFILVIRYTMR-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.04
Rot. Bonds6

About N-(cyclohex-3-en-1-ylmethyl)-1-(2-methoxyethyl)piperidin-3-amine

N-(cyclohex-3-en-1-ylmethyl)-1-(2-methoxyethyl)piperidin-3-amine (PubChem CID 75431555) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-1-(2-methoxyethyl)piperidin-3-amine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-1-(2-methoxyethyl)piperidin-3-amine
PubChem CID75431555
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-1-(2-methoxyethyl)piperidin-3-amine
SMILESCOCCN1CCCC(NCC2CC=CCC2)C1
InChIInChI=1S/C15H28N2O/c1-18-11-10-17-9-5-8-15(13-17)16-12-14-6-3-2-4-7-14/h2-3,14-16H,4-13H2,1H3
InChIKeyUOCYFILVIRYTMR-UHFFFAOYSA-N
XLogP2.04
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-1-(2-methoxyethyl)piperidin-3-amine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-1-(2-methoxyethyl)piperidin-3-amine (CID 75431555) is N-(cyclohex-3-en-1-ylmethyl)-1-(2-methoxyethyl)piperidin-3-amine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-1-(2-methoxyethyl)piperidin-3-amine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-1-(2-methoxyethyl)piperidin-3-amine is COCCN1CCCC(NCC2CC=CCC2)C1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-1-(2-methoxyethyl)piperidin-3-amine?
The InChIKey is UOCYFILVIRYTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-18-11-10-17-9-5-8-15(13-17)16-12-14-6-3-2-4-7-14/h2-3,14-16H,4-13H2,1H3.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-1-(2-methoxyethyl)piperidin-3-amine?
N-(cyclohex-3-en-1-ylmethyl)-1-(2-methoxyethyl)piperidin-3-amine has a molecular weight of 252.40 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-1-(2-methoxyethyl)piperidin-3-amine is sourced from PubChem (CID 75431555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).