2-methyl-4-[[(Z)-pent-1-enoxy]methyl]cyclohex-2-en-1-amine

C13H23NO — CID 70892626

IUPAC2-methyl-4-[[(Z)-pent-1-enoxy]methyl]cyclohex-2-en-1-amine
SMILESCCC/C=C\OCC1C=C(C)C(N)CC1
InChIInChI=1S/C13H23NO/c1-3-4-5-8-15-10-12-6-7-13(14)11(2)9-12/h5,8-9,12-13H,3-4,6-7,10,14H2,1-2H3/b8-5-
InChIKeyIXTFAIPNGTVURH-YVMONPNESA-N
MW209.33 g/mol
LogP3.00
Rot. Bonds5

About 2-methyl-4-[[(Z)-pent-1-enoxy]methyl]cyclohex-2-en-1-amine

2-methyl-4-[[(Z)-pent-1-enoxy]methyl]cyclohex-2-en-1-amine (PubChem CID 70892626) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 2-methyl-4-[[(Z)-pent-1-enoxy]methyl]cyclohex-2-en-1-amine.

Molecular Properties

Compound Name2-methyl-4-[[(Z)-pent-1-enoxy]methyl]cyclohex-2-en-1-amine
PubChem CID70892626
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name2-methyl-4-[[(Z)-pent-1-enoxy]methyl]cyclohex-2-en-1-amine
SMILESCCC/C=C\OCC1C=C(C)C(N)CC1
InChIInChI=1S/C13H23NO/c1-3-4-5-8-15-10-12-6-7-13(14)11(2)9-12/h5,8-9,12-13H,3-4,6-7,10,14H2,1-2H3/b8-5-
InChIKeyIXTFAIPNGTVURH-YVMONPNESA-N
XLogP3.00
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[(Z)-pent-1-enoxy]methyl]cyclohex-2-en-1-amine?
The IUPAC name of 2-methyl-4-[[(Z)-pent-1-enoxy]methyl]cyclohex-2-en-1-amine (CID 70892626) is 2-methyl-4-[[(Z)-pent-1-enoxy]methyl]cyclohex-2-en-1-amine.
What is the SMILES notation for 2-methyl-4-[[(Z)-pent-1-enoxy]methyl]cyclohex-2-en-1-amine?
The canonical SMILES for 2-methyl-4-[[(Z)-pent-1-enoxy]methyl]cyclohex-2-en-1-amine is CCC/C=C\OCC1C=C(C)C(N)CC1.
What is the InChIKey of 2-methyl-4-[[(Z)-pent-1-enoxy]methyl]cyclohex-2-en-1-amine?
The InChIKey is IXTFAIPNGTVURH-YVMONPNESA-N. The full InChI is InChI=1S/C13H23NO/c1-3-4-5-8-15-10-12-6-7-13(14)11(2)9-12/h5,8-9,12-13H,3-4,6-7,10,14H2,1-2H3/b8-5-.
What are the key properties of 2-methyl-4-[[(Z)-pent-1-enoxy]methyl]cyclohex-2-en-1-amine?
2-methyl-4-[[(Z)-pent-1-enoxy]methyl]cyclohex-2-en-1-amine has a molecular weight of 209.33 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[(Z)-pent-1-enoxy]methyl]cyclohex-2-en-1-amine is sourced from PubChem (CID 70892626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).