methoxy-(3-penta-2,4-dien-2-ylcyclohexyl)methanamine

C13H23NO — CID 123619546

IUPACmethoxy-(3-penta-2,4-dien-2-ylcyclohexyl)methanamine
SMILESC=CC=C(C)C1CCCC(C(N)OC)C1
InChIInChI=1S/C13H23NO/c1-4-6-10(2)11-7-5-8-12(9-11)13(14)15-3/h4,6,11-13H,1,5,7-9,14H2,2-3H3
InChIKeyFHDATNZJRYTJQF-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.86
Rot. Bonds4

About methoxy-(3-penta-2,4-dien-2-ylcyclohexyl)methanamine

methoxy-(3-penta-2,4-dien-2-ylcyclohexyl)methanamine (PubChem CID 123619546) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is methoxy-(3-penta-2,4-dien-2-ylcyclohexyl)methanamine.

Molecular Properties

Compound Namemethoxy-(3-penta-2,4-dien-2-ylcyclohexyl)methanamine
PubChem CID123619546
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Namemethoxy-(3-penta-2,4-dien-2-ylcyclohexyl)methanamine
SMILESC=CC=C(C)C1CCCC(C(N)OC)C1
InChIInChI=1S/C13H23NO/c1-4-6-10(2)11-7-5-8-12(9-11)13(14)15-3/h4,6,11-13H,1,5,7-9,14H2,2-3H3
InChIKeyFHDATNZJRYTJQF-UHFFFAOYSA-N
XLogP2.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-methoxy-3-[(5S)-5-methylcyclohexa-1,3-dien-1-yl]propan-2-amine
CID 68396138
4-Cyclohexa-1,3-dien-1-yl-3-(1,4-dioxin-2-yl)butan-1-amine
CID 91534886
[5-Cyclohexyl-5-(methoxymethyl)cyclopenta-1,3-dien-1-yl]methanamine
CID 177706793
3-(4-Methoxybutan-2-yl)cyclohex-2-en-1-amine
CID 116499768
1-(Cyclohexen-1-yl)-5-methoxy-3-methylpentan-2-amine
CID 116661379

Frequently Asked Questions

What is the IUPAC name of methoxy-(3-penta-2,4-dien-2-ylcyclohexyl)methanamine?
The IUPAC name of methoxy-(3-penta-2,4-dien-2-ylcyclohexyl)methanamine (CID 123619546) is methoxy-(3-penta-2,4-dien-2-ylcyclohexyl)methanamine.
What is the SMILES notation for methoxy-(3-penta-2,4-dien-2-ylcyclohexyl)methanamine?
The canonical SMILES for methoxy-(3-penta-2,4-dien-2-ylcyclohexyl)methanamine is C=CC=C(C)C1CCCC(C(N)OC)C1.
What is the InChIKey of methoxy-(3-penta-2,4-dien-2-ylcyclohexyl)methanamine?
The InChIKey is FHDATNZJRYTJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-4-6-10(2)11-7-5-8-12(9-11)13(14)15-3/h4,6,11-13H,1,5,7-9,14H2,2-3H3.
What are the key properties of methoxy-(3-penta-2,4-dien-2-ylcyclohexyl)methanamine?
methoxy-(3-penta-2,4-dien-2-ylcyclohexyl)methanamine has a molecular weight of 209.33 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-(3-penta-2,4-dien-2-ylcyclohexyl)methanamine is sourced from PubChem (CID 123619546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).