4-methyl-9-(2-methylpropyl)-1,2,3,5,6,7-hexahydro-4-benzazonine

C17H27N — CID 170264130

IUPAC4-methyl-9-(2-methylpropyl)-1,2,3,5,6,7-hexahydro-4-benzazonine
SMILESCC(C)Cc1ccc2c(c1)CCCN(C)CCC2
InChIInChI=1S/C17H27N/c1-14(2)12-15-8-9-16-6-4-10-18(3)11-5-7-17(16)13-15/h8-9,13-14H,4-7,10-12H2,1-3H3
InChIKeyQCWGZLAIQDAGNO-UHFFFAOYSA-N
MW245.41 g/mol
LogP3.70
Rot. Bonds2

About 4-methyl-9-(2-methylpropyl)-1,2,3,5,6,7-hexahydro-4-benzazonine

4-methyl-9-(2-methylpropyl)-1,2,3,5,6,7-hexahydro-4-benzazonine (PubChem CID 170264130) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 4-methyl-9-(2-methylpropyl)-1,2,3,5,6,7-hexahydro-4-benzazonine.

Molecular Properties

Compound Name4-methyl-9-(2-methylpropyl)-1,2,3,5,6,7-hexahydro-4-benzazonine
PubChem CID170264130
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name4-methyl-9-(2-methylpropyl)-1,2,3,5,6,7-hexahydro-4-benzazonine
SMILESCC(C)Cc1ccc2c(c1)CCCN(C)CCC2
InChIInChI=1S/C17H27N/c1-14(2)12-15-8-9-16-6-4-10-18(3)11-5-7-17(16)13-15/h8-9,13-14H,4-7,10-12H2,1-3H3
InChIKeyQCWGZLAIQDAGNO-UHFFFAOYSA-N
XLogP3.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-methyl-9-(2-methylpropyl)-1,2,3,5,6,7-hexahydro-4-benzazonine with MolForge

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Related Compounds

4-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-7-yl)butan-2-ol
CID 105493498
6-(2-chloropropyl)-1,2,3,4-tetrahydronaphthalene
CID 82255501
N-propan-2-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-amine
CID 82262476
5-[chloro-[4-(2-methylpropyl)phenyl]methyl]-2,3-dihydro-1H-indene
CID 63430886
5-(3-chloro-2-methylpropyl)-2,3-dihydro-1H-indene
CID 66034063
2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-yl]propane-1,3-diamine
CID 83931724
3-(2,3-dihydro-1H-inden-5-yl)-1,1,1-trifluoro-N-methylpropan-2-amine
CID 115865082
5-[2-(chloromethyl)-4-methylpentyl]-2,3-dihydro-1H-indene
CID 66033857
(1S)-7-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79014448
3-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)propan-1-ol
CID 105474725
7-(2-methylpropyl)-1,2-dihydronaphthalene
CID 162529552
[1-(2,3-dihydro-1H-inden-5-yl)-5-methylhexan-2-yl]hydrazine
CID 105207475

Frequently Asked Questions

What is the IUPAC name of 4-methyl-9-(2-methylpropyl)-1,2,3,5,6,7-hexahydro-4-benzazonine?
The IUPAC name of 4-methyl-9-(2-methylpropyl)-1,2,3,5,6,7-hexahydro-4-benzazonine (CID 170264130) is 4-methyl-9-(2-methylpropyl)-1,2,3,5,6,7-hexahydro-4-benzazonine.
What is the SMILES notation for 4-methyl-9-(2-methylpropyl)-1,2,3,5,6,7-hexahydro-4-benzazonine?
The canonical SMILES for 4-methyl-9-(2-methylpropyl)-1,2,3,5,6,7-hexahydro-4-benzazonine is CC(C)Cc1ccc2c(c1)CCCN(C)CCC2.
What is the InChIKey of 4-methyl-9-(2-methylpropyl)-1,2,3,5,6,7-hexahydro-4-benzazonine?
The InChIKey is QCWGZLAIQDAGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-14(2)12-15-8-9-16-6-4-10-18(3)11-5-7-17(16)13-15/h8-9,13-14H,4-7,10-12H2,1-3H3.
What are the key properties of 4-methyl-9-(2-methylpropyl)-1,2,3,5,6,7-hexahydro-4-benzazonine?
4-methyl-9-(2-methylpropyl)-1,2,3,5,6,7-hexahydro-4-benzazonine has a molecular weight of 245.41 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-9-(2-methylpropyl)-1,2,3,5,6,7-hexahydro-4-benzazonine is sourced from PubChem (CID 170264130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).