N-[(2-cyclohex-3-en-1-yloxan-3-yl)methyl]ethanamine

C14H25NO — CID 79365548

IUPACN-[(2-cyclohex-3-en-1-yloxan-3-yl)methyl]ethanamine
SMILESCCNCC1CCCOC1C1CC=CCC1
InChIInChI=1S/C14H25NO/c1-2-15-11-13-9-6-10-16-14(13)12-7-4-3-5-8-12/h3-4,12-15H,2,5-11H2,1H3
InChIKeyHWWAUWMPFTWTFZ-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.75
Rot. Bonds4

About N-[(2-cyclohex-3-en-1-yloxan-3-yl)methyl]ethanamine

N-[(2-cyclohex-3-en-1-yloxan-3-yl)methyl]ethanamine (PubChem CID 79365548) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is N-[(2-cyclohex-3-en-1-yloxan-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-cyclohex-3-en-1-yloxan-3-yl)methyl]ethanamine
PubChem CID79365548
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC NameN-[(2-cyclohex-3-en-1-yloxan-3-yl)methyl]ethanamine
SMILESCCNCC1CCCOC1C1CC=CCC1
InChIInChI=1S/C14H25NO/c1-2-15-11-13-9-6-10-16-14(13)12-7-4-3-5-8-12/h3-4,12-15H,2,5-11H2,1H3
InChIKeyHWWAUWMPFTWTFZ-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[(2-cyclohex-3-en-1-yloxan-3-yl)methyl]ethanamine?
The IUPAC name of N-[(2-cyclohex-3-en-1-yloxan-3-yl)methyl]ethanamine (CID 79365548) is N-[(2-cyclohex-3-en-1-yloxan-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-cyclohex-3-en-1-yloxan-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-cyclohex-3-en-1-yloxan-3-yl)methyl]ethanamine is CCNCC1CCCOC1C1CC=CCC1.
What is the InChIKey of N-[(2-cyclohex-3-en-1-yloxan-3-yl)methyl]ethanamine?
The InChIKey is HWWAUWMPFTWTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-2-15-11-13-9-6-10-16-14(13)12-7-4-3-5-8-12/h3-4,12-15H,2,5-11H2,1H3.
What are the key properties of N-[(2-cyclohex-3-en-1-yloxan-3-yl)methyl]ethanamine?
N-[(2-cyclohex-3-en-1-yloxan-3-yl)methyl]ethanamine has a molecular weight of 223.36 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclohex-3-en-1-yloxan-3-yl)methyl]ethanamine is sourced from PubChem (CID 79365548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).