4-(5-methyl-2-propan-2-ylcyclohexyl)oxybut-2-en-1-amine

C14H27NO — CID 77110567

IUPAC4-(5-methyl-2-propan-2-ylcyclohexyl)oxybut-2-en-1-amine
SMILESCC1CCC(C(C)C)C(OCC=CCN)C1
InChIInChI=1S/C14H27NO/c1-11(2)13-7-6-12(3)10-14(13)16-9-5-4-8-15/h4-5,11-14H,6-10,15H2,1-3H3
InChIKeyNREOGANZYPPGMI-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.98
Rot. Bonds5

About 4-(5-methyl-2-propan-2-ylcyclohexyl)oxybut-2-en-1-amine

4-(5-methyl-2-propan-2-ylcyclohexyl)oxybut-2-en-1-amine (PubChem CID 77110567) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 4-(5-methyl-2-propan-2-ylcyclohexyl)oxybut-2-en-1-amine.

Molecular Properties

Compound Name4-(5-methyl-2-propan-2-ylcyclohexyl)oxybut-2-en-1-amine
PubChem CID77110567
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name4-(5-methyl-2-propan-2-ylcyclohexyl)oxybut-2-en-1-amine
SMILESCC1CCC(C(C)C)C(OCC=CCN)C1
InChIInChI=1S/C14H27NO/c1-11(2)13-7-6-12(3)10-14(13)16-9-5-4-8-15/h4-5,11-14H,6-10,15H2,1-3H3
InChIKeyNREOGANZYPPGMI-UHFFFAOYSA-N
XLogP2.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.98
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 4-(5-methyl-2-propan-2-ylcyclohexyl)oxybut-2-en-1-amine?
The IUPAC name of 4-(5-methyl-2-propan-2-ylcyclohexyl)oxybut-2-en-1-amine (CID 77110567) is 4-(5-methyl-2-propan-2-ylcyclohexyl)oxybut-2-en-1-amine.
What is the SMILES notation for 4-(5-methyl-2-propan-2-ylcyclohexyl)oxybut-2-en-1-amine?
The canonical SMILES for 4-(5-methyl-2-propan-2-ylcyclohexyl)oxybut-2-en-1-amine is CC1CCC(C(C)C)C(OCC=CCN)C1.
What is the InChIKey of 4-(5-methyl-2-propan-2-ylcyclohexyl)oxybut-2-en-1-amine?
The InChIKey is NREOGANZYPPGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-11(2)13-7-6-12(3)10-14(13)16-9-5-4-8-15/h4-5,11-14H,6-10,15H2,1-3H3.
What are the key properties of 4-(5-methyl-2-propan-2-ylcyclohexyl)oxybut-2-en-1-amine?
4-(5-methyl-2-propan-2-ylcyclohexyl)oxybut-2-en-1-amine has a molecular weight of 225.38 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-2-propan-2-ylcyclohexyl)oxybut-2-en-1-amine is sourced from PubChem (CID 77110567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).