1-[(4aS,5R,8aR)-5-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-tert-butylmethanimine

C15H28N2 — CID 10900638

IUPAC1-[(4aS,5R,8aR)-5-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-tert-butylmethanimine
SMILESC[C@@H]1CCC[C@@H]2[C@H]1CCCN2/C=N/C(C)(C)C
InChIInChI=1S/C15H28N2/c1-12-7-5-9-14-13(12)8-6-10-17(14)11-16-15(2,3)4/h11-14H,5-10H2,1-4H3/b16-11+/t12-,13+,14-/m1/s1
InChIKeyAWKDFSVPEFJWRN-VKXUYIDRSA-N
MW236.40 g/mol
LogP3.71
Rot. Bonds1

About 1-[(4aS,5R,8aR)-5-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-tert-butylmethanimine

1-[(4aS,5R,8aR)-5-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-tert-butylmethanimine (PubChem CID 10900638) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 1-[(4aS,5R,8aR)-5-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-tert-butylmethanimine.

Molecular Properties

Compound Name1-[(4aS,5R,8aR)-5-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-tert-butylmethanimine
PubChem CID10900638
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name1-[(4aS,5R,8aR)-5-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-tert-butylmethanimine
SMILESC[C@@H]1CCC[C@@H]2[C@H]1CCCN2/C=N/C(C)(C)C
InChIInChI=1S/C15H28N2/c1-12-7-5-9-14-13(12)8-6-10-17(14)11-16-15(2,3)4/h11-14H,5-10H2,1-4H3/b16-11+/t12-,13+,14-/m1/s1
InChIKeyAWKDFSVPEFJWRN-VKXUYIDRSA-N
XLogP3.71
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-[(4aS,5R,8aR)-5-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-tert-butylmethanimine 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

CID 155706738
CID 155706738
N,1-dimethyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-2-imine
CID 156533459
N,5,5-trimethyl-1-propan-2-yl-4,4a,6,7,8,8a-hexahydro-3H-quinolin-2-imine
CID 169679475
N,5-dimethyl-1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydroquinolin-2-imine;ethane
CID 171106634
CID 174118895
CID 174118895
CID 174118897
CID 174118897
N'-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide
CID 55064336
N'-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide
CID 62361183
N'-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboximidamide
CID 62362110
N'-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboximidamide
CID 62362112
N'-ethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide
CID 62362324
N'-propyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide
CID 62362325

Frequently Asked Questions

What is the IUPAC name of 1-[(4aS,5R,8aR)-5-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-tert-butylmethanimine?
The IUPAC name of 1-[(4aS,5R,8aR)-5-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-tert-butylmethanimine (CID 10900638) is 1-[(4aS,5R,8aR)-5-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-tert-butylmethanimine.
What is the SMILES notation for 1-[(4aS,5R,8aR)-5-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-tert-butylmethanimine?
The canonical SMILES for 1-[(4aS,5R,8aR)-5-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-tert-butylmethanimine is C[C@@H]1CCC[C@@H]2[C@H]1CCCN2/C=N/C(C)(C)C.
What is the InChIKey of 1-[(4aS,5R,8aR)-5-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-tert-butylmethanimine?
The InChIKey is AWKDFSVPEFJWRN-VKXUYIDRSA-N. The full InChI is InChI=1S/C15H28N2/c1-12-7-5-9-14-13(12)8-6-10-17(14)11-16-15(2,3)4/h11-14H,5-10H2,1-4H3/b16-11+/t12-,13+,14-/m1/s1.
What are the key properties of 1-[(4aS,5R,8aR)-5-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-tert-butylmethanimine?
1-[(4aS,5R,8aR)-5-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-tert-butylmethanimine has a molecular weight of 236.40 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4aS,5R,8aR)-5-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-tert-butylmethanimine is sourced from PubChem (CID 10900638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).