2-[5-methyl-3-[(6-methylcyclohexen-1-yl)methoxy]cyclohex-3-en-1-yl]prop-2-en-1-amine

C18H29NO — CID 89246833

IUPAC2-[5-methyl-3-[(6-methylcyclohexen-1-yl)methoxy]cyclohex-3-en-1-yl]prop-2-en-1-amine
SMILESC=C(CN)C1CC(OCC2=CCCCC2C)=CC(C)C1
InChIInChI=1S/C18H29NO/c1-13-8-17(15(3)11-19)10-18(9-13)20-12-16-7-5-4-6-14(16)2/h7,9,13-14,17H,3-6,8,10-12,19H2,1-2H3
InChIKeyGHGBTSZGBNVSHS-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.19
Rot. Bonds5

About 2-[5-methyl-3-[(6-methylcyclohexen-1-yl)methoxy]cyclohex-3-en-1-yl]prop-2-en-1-amine

2-[5-methyl-3-[(6-methylcyclohexen-1-yl)methoxy]cyclohex-3-en-1-yl]prop-2-en-1-amine (PubChem CID 89246833) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-[5-methyl-3-[(6-methylcyclohexen-1-yl)methoxy]cyclohex-3-en-1-yl]prop-2-en-1-amine.

Molecular Properties

Compound Name2-[5-methyl-3-[(6-methylcyclohexen-1-yl)methoxy]cyclohex-3-en-1-yl]prop-2-en-1-amine
PubChem CID89246833
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2-[5-methyl-3-[(6-methylcyclohexen-1-yl)methoxy]cyclohex-3-en-1-yl]prop-2-en-1-amine
SMILESC=C(CN)C1CC(OCC2=CCCCC2C)=CC(C)C1
InChIInChI=1S/C18H29NO/c1-13-8-17(15(3)11-19)10-18(9-13)20-12-16-7-5-4-6-14(16)2/h7,9,13-14,17H,3-6,8,10-12,19H2,1-2H3
InChIKeyGHGBTSZGBNVSHS-UHFFFAOYSA-N
XLogP4.19
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.19
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 2-[5-methyl-3-[(6-methylcyclohexen-1-yl)methoxy]cyclohex-3-en-1-yl]prop-2-en-1-amine?
The IUPAC name of 2-[5-methyl-3-[(6-methylcyclohexen-1-yl)methoxy]cyclohex-3-en-1-yl]prop-2-en-1-amine (CID 89246833) is 2-[5-methyl-3-[(6-methylcyclohexen-1-yl)methoxy]cyclohex-3-en-1-yl]prop-2-en-1-amine.
What is the SMILES notation for 2-[5-methyl-3-[(6-methylcyclohexen-1-yl)methoxy]cyclohex-3-en-1-yl]prop-2-en-1-amine?
The canonical SMILES for 2-[5-methyl-3-[(6-methylcyclohexen-1-yl)methoxy]cyclohex-3-en-1-yl]prop-2-en-1-amine is C=C(CN)C1CC(OCC2=CCCCC2C)=CC(C)C1.
What is the InChIKey of 2-[5-methyl-3-[(6-methylcyclohexen-1-yl)methoxy]cyclohex-3-en-1-yl]prop-2-en-1-amine?
The InChIKey is GHGBTSZGBNVSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-13-8-17(15(3)11-19)10-18(9-13)20-12-16-7-5-4-6-14(16)2/h7,9,13-14,17H,3-6,8,10-12,19H2,1-2H3.
What are the key properties of 2-[5-methyl-3-[(6-methylcyclohexen-1-yl)methoxy]cyclohex-3-en-1-yl]prop-2-en-1-amine?
2-[5-methyl-3-[(6-methylcyclohexen-1-yl)methoxy]cyclohex-3-en-1-yl]prop-2-en-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-3-[(6-methylcyclohexen-1-yl)methoxy]cyclohex-3-en-1-yl]prop-2-en-1-amine is sourced from PubChem (CID 89246833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).