3-cyclohex-2-en-1-yloxy-N-propan-2-ylpropan-1-amine

C12H23NO — CID 114620321

IUPAC3-cyclohex-2-en-1-yloxy-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCCCOC1C=CCCC1
InChIInChI=1S/C12H23NO/c1-11(2)13-9-6-10-14-12-7-4-3-5-8-12/h4,7,11-13H,3,5-6,8-10H2,1-2H3
InChIKeyYYUCOAPGAPHTGM-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.50
Rot. Bonds6

About 3-cyclohex-2-en-1-yloxy-N-propan-2-ylpropan-1-amine

3-cyclohex-2-en-1-yloxy-N-propan-2-ylpropan-1-amine (PubChem CID 114620321) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 3-cyclohex-2-en-1-yloxy-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-cyclohex-2-en-1-yloxy-N-propan-2-ylpropan-1-amine
PubChem CID114620321
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name3-cyclohex-2-en-1-yloxy-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCCCOC1C=CCCC1
InChIInChI=1S/C12H23NO/c1-11(2)13-9-6-10-14-12-7-4-3-5-8-12/h4,7,11-13H,3,5-6,8-10H2,1-2H3
InChIKeyYYUCOAPGAPHTGM-UHFFFAOYSA-N
XLogP2.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-cyclohex-2-en-1-yloxy-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-cyclohex-2-en-1-yloxy-N-propan-2-ylpropan-1-amine (CID 114620321) is 3-cyclohex-2-en-1-yloxy-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-cyclohex-2-en-1-yloxy-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-cyclohex-2-en-1-yloxy-N-propan-2-ylpropan-1-amine is CC(C)NCCCOC1C=CCCC1.
What is the InChIKey of 3-cyclohex-2-en-1-yloxy-N-propan-2-ylpropan-1-amine?
The InChIKey is YYUCOAPGAPHTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-11(2)13-9-6-10-14-12-7-4-3-5-8-12/h4,7,11-13H,3,5-6,8-10H2,1-2H3.
What are the key properties of 3-cyclohex-2-en-1-yloxy-N-propan-2-ylpropan-1-amine?
3-cyclohex-2-en-1-yloxy-N-propan-2-ylpropan-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohex-2-en-1-yloxy-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 114620321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).