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

C16H28N2 — CID 22867714

IUPAC(6S,8aS)-N,5,5,8a-tetramethyl-2-prop-2-enyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-amine
SMILESC=CCN1CC=C2C(C)(C)[C@@H](NC)CC[C@]2(C)C1
InChIInChI=1S/C16H28N2/c1-6-10-18-11-8-13-15(2,3)14(17-5)7-9-16(13,4)12-18/h6,8,14,17H,1,7,9-12H2,2-5H3/t14-,16+/m0/s1
InChIKeyXNIGOHQGIUWIPT-GOEBONIOSA-N
MW248.41 g/mol
LogP2.83
Rot. Bonds3

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

(6S,8aS)-N,5,5,8a-tetramethyl-2-prop-2-enyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-amine (PubChem CID 22867714) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is (6S,8aS)-N,5,5,8a-tetramethyl-2-prop-2-enyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-amine.

Molecular Properties

Compound Name(6S,8aS)-N,5,5,8a-tetramethyl-2-prop-2-enyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-amine
PubChem CID22867714
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name(6S,8aS)-N,5,5,8a-tetramethyl-2-prop-2-enyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-amine
SMILESC=CCN1CC=C2C(C)(C)[C@@H](NC)CC[C@]2(C)C1
InChIInChI=1S/C16H28N2/c1-6-10-18-11-8-13-15(2,3)14(17-5)7-9-16(13,4)12-18/h6,8,14,17H,1,7,9-12H2,2-5H3/t14-,16+/m0/s1
InChIKeyXNIGOHQGIUWIPT-GOEBONIOSA-N
XLogP2.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (6S,8aS)-N,5,5,8a-tetramethyl-2-prop-2-enyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6S,8aS)-N,5,5,8a-tetramethyl-2-prop-2-enyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-amine?
The IUPAC name of (6S,8aS)-N,5,5,8a-tetramethyl-2-prop-2-enyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-amine (CID 22867714) is (6S,8aS)-N,5,5,8a-tetramethyl-2-prop-2-enyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-amine.
What is the SMILES notation for (6S,8aS)-N,5,5,8a-tetramethyl-2-prop-2-enyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-amine?
The canonical SMILES for (6S,8aS)-N,5,5,8a-tetramethyl-2-prop-2-enyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-amine is C=CCN1CC=C2C(C)(C)[C@@H](NC)CC[C@]2(C)C1.
What is the InChIKey of (6S,8aS)-N,5,5,8a-tetramethyl-2-prop-2-enyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-amine?
The InChIKey is XNIGOHQGIUWIPT-GOEBONIOSA-N. The full InChI is InChI=1S/C16H28N2/c1-6-10-18-11-8-13-15(2,3)14(17-5)7-9-16(13,4)12-18/h6,8,14,17H,1,7,9-12H2,2-5H3/t14-,16+/m0/s1.
What are the key properties of (6S,8aS)-N,5,5,8a-tetramethyl-2-prop-2-enyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-amine?
(6S,8aS)-N,5,5,8a-tetramethyl-2-prop-2-enyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-amine has a molecular weight of 248.41 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,8aS)-N,5,5,8a-tetramethyl-2-prop-2-enyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-amine is sourced from PubChem (CID 22867714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).