6-(4-methylpent-3-enyl)-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-amine

C16H27N — CID 22175151

IUPAC6-(4-methylpent-3-enyl)-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-amine
SMILESCC(C)=CCCC1=CCC2C(N)CCCC2C1
InChIInChI=1S/C16H27N/c1-12(2)5-3-6-13-9-10-15-14(11-13)7-4-8-16(15)17/h5,9,14-16H,3-4,6-8,10-11,17H2,1-2H3
InChIKeyGZBPBCSPJFWMGZ-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.20
Rot. Bonds3

About 6-(4-methylpent-3-enyl)-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-amine

6-(4-methylpent-3-enyl)-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-amine (PubChem CID 22175151) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 6-(4-methylpent-3-enyl)-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-amine.

Molecular Properties

Compound Name6-(4-methylpent-3-enyl)-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-amine
PubChem CID22175151
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name6-(4-methylpent-3-enyl)-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-amine
SMILESCC(C)=CCCC1=CCC2C(N)CCCC2C1
InChIInChI=1S/C16H27N/c1-12(2)5-3-6-13-9-10-15-14(11-13)7-4-8-16(15)17/h5,9,14-16H,3-4,6-8,10-11,17H2,1-2H3
InChIKeyGZBPBCSPJFWMGZ-UHFFFAOYSA-N
XLogP4.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 6-(4-methylpent-3-enyl)-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-amine?
The IUPAC name of 6-(4-methylpent-3-enyl)-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-amine (CID 22175151) is 6-(4-methylpent-3-enyl)-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-amine.
What is the SMILES notation for 6-(4-methylpent-3-enyl)-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-amine?
The canonical SMILES for 6-(4-methylpent-3-enyl)-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-amine is CC(C)=CCCC1=CCC2C(N)CCCC2C1.
What is the InChIKey of 6-(4-methylpent-3-enyl)-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-amine?
The InChIKey is GZBPBCSPJFWMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-12(2)5-3-6-13-9-10-15-14(11-13)7-4-8-16(15)17/h5,9,14-16H,3-4,6-8,10-11,17H2,1-2H3.
What are the key properties of 6-(4-methylpent-3-enyl)-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-amine?
6-(4-methylpent-3-enyl)-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-amine has a molecular weight of 233.40 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpent-3-enyl)-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-amine is sourced from PubChem (CID 22175151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).