4-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pent-4-en-1-ol

C14H25NO — CID 114474025

IUPAC4-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pent-4-en-1-ol
SMILESC=C(C)CCC(O)C1CC2CCC(C1)N2C
InChIInChI=1S/C14H25NO/c1-10(2)4-7-14(16)11-8-12-5-6-13(9-11)15(12)3/h11-14,16H,1,4-9H2,2-3H3
InChIKeyCKKZYZZSGAHCHT-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.58
Rot. Bonds4

About 4-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pent-4-en-1-ol

4-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pent-4-en-1-ol (PubChem CID 114474025) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 4-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pent-4-en-1-ol.

Molecular Properties

Compound Name4-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pent-4-en-1-ol
PubChem CID114474025
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name4-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pent-4-en-1-ol
SMILESC=C(C)CCC(O)C1CC2CCC(C1)N2C
InChIInChI=1S/C14H25NO/c1-10(2)4-7-14(16)11-8-12-5-6-13(9-11)15(12)3/h11-14,16H,1,4-9H2,2-3H3
InChIKeyCKKZYZZSGAHCHT-UHFFFAOYSA-N
XLogP2.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.58
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-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pent-4-en-1-ol?
The IUPAC name of 4-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pent-4-en-1-ol (CID 114474025) is 4-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pent-4-en-1-ol.
What is the SMILES notation for 4-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pent-4-en-1-ol?
The canonical SMILES for 4-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pent-4-en-1-ol is C=C(C)CCC(O)C1CC2CCC(C1)N2C.
What is the InChIKey of 4-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pent-4-en-1-ol?
The InChIKey is CKKZYZZSGAHCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-10(2)4-7-14(16)11-8-12-5-6-13(9-11)15(12)3/h11-14,16H,1,4-9H2,2-3H3.
What are the key properties of 4-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pent-4-en-1-ol?
4-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pent-4-en-1-ol has a molecular weight of 223.36 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pent-4-en-1-ol is sourced from PubChem (CID 114474025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).