(6R,8aS)-N,N,5,5,8a-pentamethyl-1,2,3,6,7,8-hexahydroisoquinolin-6-amine

C14H26N2 — CID 10878762

IUPAC(6R,8aS)-N,N,5,5,8a-pentamethyl-1,2,3,6,7,8-hexahydroisoquinolin-6-amine
SMILESCN(C)[C@@H]1CC[C@]2(C)CNCC=C2C1(C)C
InChIInChI=1S/C14H26N2/c1-13(2)11-7-9-15-10-14(11,3)8-6-12(13)16(4)5/h7,12,15H,6,8-10H2,1-5H3/t12-,14-/m1/s1
InChIKeyKERIHFABCCWYSE-TZMCWYRMSA-N
MW222.38 g/mol
LogP2.27
Rot. Bonds1

About (6R,8aS)-N,N,5,5,8a-pentamethyl-1,2,3,6,7,8-hexahydroisoquinolin-6-amine

(6R,8aS)-N,N,5,5,8a-pentamethyl-1,2,3,6,7,8-hexahydroisoquinolin-6-amine (PubChem CID 10878762) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is (6R,8aS)-N,N,5,5,8a-pentamethyl-1,2,3,6,7,8-hexahydroisoquinolin-6-amine.

Molecular Properties

Compound Name(6R,8aS)-N,N,5,5,8a-pentamethyl-1,2,3,6,7,8-hexahydroisoquinolin-6-amine
PubChem CID10878762
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name(6R,8aS)-N,N,5,5,8a-pentamethyl-1,2,3,6,7,8-hexahydroisoquinolin-6-amine
SMILESCN(C)[C@@H]1CC[C@]2(C)CNCC=C2C1(C)C
InChIInChI=1S/C14H26N2/c1-13(2)11-7-9-15-10-14(11,3)8-6-12(13)16(4)5/h7,12,15H,6,8-10H2,1-5H3/t12-,14-/m1/s1
InChIKeyKERIHFABCCWYSE-TZMCWYRMSA-N
XLogP2.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.27
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 (6R,8aS)-N,N,5,5,8a-pentamethyl-1,2,3,6,7,8-hexahydroisoquinolin-6-amine?
The IUPAC name of (6R,8aS)-N,N,5,5,8a-pentamethyl-1,2,3,6,7,8-hexahydroisoquinolin-6-amine (CID 10878762) is (6R,8aS)-N,N,5,5,8a-pentamethyl-1,2,3,6,7,8-hexahydroisoquinolin-6-amine.
What is the SMILES notation for (6R,8aS)-N,N,5,5,8a-pentamethyl-1,2,3,6,7,8-hexahydroisoquinolin-6-amine?
The canonical SMILES for (6R,8aS)-N,N,5,5,8a-pentamethyl-1,2,3,6,7,8-hexahydroisoquinolin-6-amine is CN(C)[C@@H]1CC[C@]2(C)CNCC=C2C1(C)C.
What is the InChIKey of (6R,8aS)-N,N,5,5,8a-pentamethyl-1,2,3,6,7,8-hexahydroisoquinolin-6-amine?
The InChIKey is KERIHFABCCWYSE-TZMCWYRMSA-N. The full InChI is InChI=1S/C14H26N2/c1-13(2)11-7-9-15-10-14(11,3)8-6-12(13)16(4)5/h7,12,15H,6,8-10H2,1-5H3/t12-,14-/m1/s1.
What are the key properties of (6R,8aS)-N,N,5,5,8a-pentamethyl-1,2,3,6,7,8-hexahydroisoquinolin-6-amine?
(6R,8aS)-N,N,5,5,8a-pentamethyl-1,2,3,6,7,8-hexahydroisoquinolin-6-amine has a molecular weight of 222.38 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,8aS)-N,N,5,5,8a-pentamethyl-1,2,3,6,7,8-hexahydroisoquinolin-6-amine is sourced from PubChem (CID 10878762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).