(6S,8aS)-5,5,8a-trimethyl-2-prop-2-enyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-amine

C15H26N2 — CID 22867708

IUPAC(6S,8aS)-5,5,8a-trimethyl-2-prop-2-enyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-amine
SMILESC=CCN1CC=C2C(C)(C)[C@@H](N)CC[C@]2(C)C1
InChIInChI=1S/C15H26N2/c1-5-9-17-10-7-12-14(2,3)13(16)6-8-15(12,4)11-17/h5,7,13H,1,6,8-11,16H2,2-4H3/t13-,15+/m0/s1
InChIKeyFIHYQYWYCBRWDF-DZGCQCFKSA-N
MW234.39 g/mol
LogP2.57
Rot. Bonds2

About (6S,8aS)-5,5,8a-trimethyl-2-prop-2-enyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-amine

(6S,8aS)-5,5,8a-trimethyl-2-prop-2-enyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-amine (PubChem CID 22867708) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is (6S,8aS)-5,5,8a-trimethyl-2-prop-2-enyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-amine.

Molecular Properties

Compound Name(6S,8aS)-5,5,8a-trimethyl-2-prop-2-enyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-amine
PubChem CID22867708
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name(6S,8aS)-5,5,8a-trimethyl-2-prop-2-enyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-amine
SMILESC=CCN1CC=C2C(C)(C)[C@@H](N)CC[C@]2(C)C1
InChIInChI=1S/C15H26N2/c1-5-9-17-10-7-12-14(2,3)13(16)6-8-15(12,4)11-17/h5,7,13H,1,6,8-11,16H2,2-4H3/t13-,15+/m0/s1
InChIKeyFIHYQYWYCBRWDF-DZGCQCFKSA-N
XLogP2.57
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.57
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 (6S,8aS)-5,5,8a-trimethyl-2-prop-2-enyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-amine?
The IUPAC name of (6S,8aS)-5,5,8a-trimethyl-2-prop-2-enyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-amine (CID 22867708) is (6S,8aS)-5,5,8a-trimethyl-2-prop-2-enyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-amine.
What is the SMILES notation for (6S,8aS)-5,5,8a-trimethyl-2-prop-2-enyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-amine?
The canonical SMILES for (6S,8aS)-5,5,8a-trimethyl-2-prop-2-enyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-amine is C=CCN1CC=C2C(C)(C)[C@@H](N)CC[C@]2(C)C1.
What is the InChIKey of (6S,8aS)-5,5,8a-trimethyl-2-prop-2-enyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-amine?
The InChIKey is FIHYQYWYCBRWDF-DZGCQCFKSA-N. The full InChI is InChI=1S/C15H26N2/c1-5-9-17-10-7-12-14(2,3)13(16)6-8-15(12,4)11-17/h5,7,13H,1,6,8-11,16H2,2-4H3/t13-,15+/m0/s1.
What are the key properties of (6S,8aS)-5,5,8a-trimethyl-2-prop-2-enyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-amine?
(6S,8aS)-5,5,8a-trimethyl-2-prop-2-enyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-amine has a molecular weight of 234.39 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,8aS)-5,5,8a-trimethyl-2-prop-2-enyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-amine is sourced from PubChem (CID 22867708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).