2-[[(2R)-3-amino-1,2,3,5,6,7,8,8a-octahydronaphthalen-2-yl]methyl]oct-1-en-4-ol

C19H33NO — CID 143986694

IUPAC2-[[(2R)-3-amino-1,2,3,5,6,7,8,8a-octahydronaphthalen-2-yl]methyl]oct-1-en-4-ol
SMILESC=C(CC(O)CCCC)C[C@H]1CC2CCCCC2=CC1N
InChIInChI=1S/C19H33NO/c1-3-4-9-18(21)11-14(2)10-17-12-15-7-5-6-8-16(15)13-19(17)20/h13,15,17-19,21H,2-12,20H2,1H3/t15?,17-,18?,19?/m0/s1
InChIKeyWRZSNZTWUTYKFH-BGDKIBOASA-N
MW291.48 g/mol
LogP4.34
Rot. Bonds7

About 2-[[(2R)-3-amino-1,2,3,5,6,7,8,8a-octahydronaphthalen-2-yl]methyl]oct-1-en-4-ol

2-[[(2R)-3-amino-1,2,3,5,6,7,8,8a-octahydronaphthalen-2-yl]methyl]oct-1-en-4-ol (PubChem CID 143986694) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 2-[[(2R)-3-amino-1,2,3,5,6,7,8,8a-octahydronaphthalen-2-yl]methyl]oct-1-en-4-ol.

Molecular Properties

Compound Name2-[[(2R)-3-amino-1,2,3,5,6,7,8,8a-octahydronaphthalen-2-yl]methyl]oct-1-en-4-ol
PubChem CID143986694
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name2-[[(2R)-3-amino-1,2,3,5,6,7,8,8a-octahydronaphthalen-2-yl]methyl]oct-1-en-4-ol
SMILESC=C(CC(O)CCCC)C[C@H]1CC2CCCCC2=CC1N
InChIInChI=1S/C19H33NO/c1-3-4-9-18(21)11-14(2)10-17-12-15-7-5-6-8-16(15)13-19(17)20/h13,15,17-19,21H,2-12,20H2,1H3/t15?,17-,18?,19?/m0/s1
InChIKeyWRZSNZTWUTYKFH-BGDKIBOASA-N
XLogP4.34
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[[(2R)-3-amino-1,2,3,5,6,7,8,8a-octahydronaphthalen-2-yl]methyl]oct-1-en-4-ol with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-3-amino-1,2,3,5,6,7,8,8a-octahydronaphthalen-2-yl]methyl]oct-1-en-4-ol?
The IUPAC name of 2-[[(2R)-3-amino-1,2,3,5,6,7,8,8a-octahydronaphthalen-2-yl]methyl]oct-1-en-4-ol (CID 143986694) is 2-[[(2R)-3-amino-1,2,3,5,6,7,8,8a-octahydronaphthalen-2-yl]methyl]oct-1-en-4-ol.
What is the SMILES notation for 2-[[(2R)-3-amino-1,2,3,5,6,7,8,8a-octahydronaphthalen-2-yl]methyl]oct-1-en-4-ol?
The canonical SMILES for 2-[[(2R)-3-amino-1,2,3,5,6,7,8,8a-octahydronaphthalen-2-yl]methyl]oct-1-en-4-ol is C=C(CC(O)CCCC)C[C@H]1CC2CCCCC2=CC1N.
What is the InChIKey of 2-[[(2R)-3-amino-1,2,3,5,6,7,8,8a-octahydronaphthalen-2-yl]methyl]oct-1-en-4-ol?
The InChIKey is WRZSNZTWUTYKFH-BGDKIBOASA-N. The full InChI is InChI=1S/C19H33NO/c1-3-4-9-18(21)11-14(2)10-17-12-15-7-5-6-8-16(15)13-19(17)20/h13,15,17-19,21H,2-12,20H2,1H3/t15?,17-,18?,19?/m0/s1.
What are the key properties of 2-[[(2R)-3-amino-1,2,3,5,6,7,8,8a-octahydronaphthalen-2-yl]methyl]oct-1-en-4-ol?
2-[[(2R)-3-amino-1,2,3,5,6,7,8,8a-octahydronaphthalen-2-yl]methyl]oct-1-en-4-ol has a molecular weight of 291.48 g/mol, XLogP of 4.34, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-3-amino-1,2,3,5,6,7,8,8a-octahydronaphthalen-2-yl]methyl]oct-1-en-4-ol is sourced from PubChem (CID 143986694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).