2-dodecyl-5,5,8a-trimethyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-amine

C24H46N2 — CID 23366883

IUPAC2-dodecyl-5,5,8a-trimethyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-amine
SMILESCCCCCCCCCCCCN1CC=C2C(C)(CCC(N)C2(C)C)C1
InChIInChI=1S/C24H46N2/c1-5-6-7-8-9-10-11-12-13-14-18-26-19-16-21-23(2,3)22(25)15-17-24(21,4)20-26/h16,22H,5-15,17-20,25H2,1-4H3
InChIKeyDODHJFIWJHEKIN-UHFFFAOYSA-N
MW362.65 g/mol
LogP6.30
Rot. Bonds11

About 2-dodecyl-5,5,8a-trimethyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-amine

2-dodecyl-5,5,8a-trimethyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-amine (PubChem CID 23366883) has the molecular formula C24H46N2 and a molecular weight of 362.65 g/mol. Its IUPAC name is 2-dodecyl-5,5,8a-trimethyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-amine.

Molecular Properties

Compound Name2-dodecyl-5,5,8a-trimethyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-amine
PubChem CID23366883
Molecular FormulaC24H46N2
Molecular Weight362.65 g/mol
Exact Mass362.37
IUPAC Name2-dodecyl-5,5,8a-trimethyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-amine
SMILESCCCCCCCCCCCCN1CC=C2C(C)(CCC(N)C2(C)C)C1
InChIInChI=1S/C24H46N2/c1-5-6-7-8-9-10-11-12-13-14-18-26-19-16-21-23(2,3)22(25)15-17-24(21,4)20-26/h16,22H,5-15,17-20,25H2,1-4H3
InChIKeyDODHJFIWJHEKIN-UHFFFAOYSA-N
XLogP6.30
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.65
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-dodecyl-5,5,8a-trimethyl-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

Related Compounds

Halichonine B
CID 56834630
4-[[4-[[(3S)-3,7-dimethyloct-6-enyl]amino]-3-methyl-cyclohexyl]methyl]-2-methyl-cyclohexanamine
CID 6480559
(6S,8aS)-2-dodecyl-N,N,5,5,8a-pentamethyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-amine
CID 9821796
(6R,8aS)-N,N,5,5,8a-pentamethyl-1,2,3,6,7,8-hexahydroisoquinolin-6-amine
CID 10878762
(6R,8aS)-2-dodecyl-N,N,5,5,8a-pentamethyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-amine
CID 10905235
(6S,8aS)-N,N,5,5,8a-pentamethyl-1,2,3,6,7,8-hexahydroisoquinolin-6-amine
CID 11009568
(6S,8aS)-2-dodecyl-N,5,5,8a-tetramethyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-amine
CID 11025220
(6S,8aS)-2-dodecyl-5,5,8a-trimethyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-amine
CID 11132211
5,5,8a-Trimethyl-1,2,3,6,7,8-hexahydroisoquinolin-6-amine
CID 22635658
(8aS)-5,5,8a-trimethyl-1,2,3,6,7,8-hexahydroisoquinolin-6-amine
CID 22867704
(6S,8aS)-5,5,8a-trimethyl-2-prop-2-enyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-amine
CID 22867708
(6S,8aS)-N,5,5,8a-tetramethyl-2-prop-2-enyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-amine
CID 22867714

Frequently Asked Questions

What is the IUPAC name of 2-dodecyl-5,5,8a-trimethyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-amine?
The IUPAC name of 2-dodecyl-5,5,8a-trimethyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-amine (CID 23366883) is 2-dodecyl-5,5,8a-trimethyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-amine.
What is the SMILES notation for 2-dodecyl-5,5,8a-trimethyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-amine?
The canonical SMILES for 2-dodecyl-5,5,8a-trimethyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-amine is CCCCCCCCCCCCN1CC=C2C(C)(CCC(N)C2(C)C)C1.
What is the InChIKey of 2-dodecyl-5,5,8a-trimethyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-amine?
The InChIKey is DODHJFIWJHEKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46N2/c1-5-6-7-8-9-10-11-12-13-14-18-26-19-16-21-23(2,3)22(25)15-17-24(21,4)20-26/h16,22H,5-15,17-20,25H2,1-4H3.
What are the key properties of 2-dodecyl-5,5,8a-trimethyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-amine?
2-dodecyl-5,5,8a-trimethyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-amine has a molecular weight of 362.65 g/mol, XLogP of 6.30, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecyl-5,5,8a-trimethyl-3,6,7,8-tetrahydro-1H-isoquinolin-6-amine is sourced from PubChem (CID 23366883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).