N,N-dimethyl-3-(2-methylsulfanylbenzo[b][1]benzazepin-11-yl)propan-1-amine

C20H24N2S — CID 154324272

IUPACN,N-dimethyl-3-(2-methylsulfanylbenzo[b][1]benzazepin-11-yl)propan-1-amine
SMILESCSc1ccc2c(c1)N(CCCN(C)C)c1ccccc1C=C2
InChIInChI=1S/C20H24N2S/c1-21(2)13-6-14-22-19-8-5-4-7-16(19)9-10-17-11-12-18(23-3)15-20(17)22/h4-5,7-12,15H,6,13-14H2,1-3H3
InChIKeyCRNVMYBSYWTHLB-UHFFFAOYSA-N
MW324.49 g/mol
LogP4.98
Rot. Bonds5

About N,N-dimethyl-3-(2-methylsulfanylbenzo[b][1]benzazepin-11-yl)propan-1-amine

N,N-dimethyl-3-(2-methylsulfanylbenzo[b][1]benzazepin-11-yl)propan-1-amine (PubChem CID 154324272) has the molecular formula C20H24N2S and a molecular weight of 324.49 g/mol. Its IUPAC name is N,N-dimethyl-3-(2-methylsulfanylbenzo[b][1]benzazepin-11-yl)propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(2-methylsulfanylbenzo[b][1]benzazepin-11-yl)propan-1-amine
PubChem CID154324272
Molecular FormulaC20H24N2S
Molecular Weight324.49 g/mol
Exact Mass324.17
IUPAC NameN,N-dimethyl-3-(2-methylsulfanylbenzo[b][1]benzazepin-11-yl)propan-1-amine
SMILESCSc1ccc2c(c1)N(CCCN(C)C)c1ccccc1C=C2
InChIInChI=1S/C20H24N2S/c1-21(2)13-6-14-22-19-8-5-4-7-16(19)9-10-17-11-12-18(23-3)15-20(17)22/h4-5,7-12,15H,6,13-14H2,1-3H3
InChIKeyCRNVMYBSYWTHLB-UHFFFAOYSA-N
XLogP4.98
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-chlorobenzo[b][1]benzazepin-11-yl)-N,N-bis(trideuteriomethyl)propan-1-amine
CID 162641277
2-benzo[b][1]benzazepin-11-yl-N,N-dimethylethanamine;hydrochloride
CID 3069671
2-methylsulfanylbenzo[b][1]benzazepine-11-carbonyl chloride
CID 86257701
3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine;hydrate;hydrochloride
CID 90158861
3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine;hydron;chloride
CID 657207
4-benzo[b][1]benzazepin-11-ylbutan-1-ol
CID 10869189
3-benzo[b][1]benzazepin-11-yl-N-(trideuteriomethyl)propan-1-amine
CID 126456237
4-[3-(dimethylamino)propyl]-1,4-benzoxazin-3-one
CID 117007291
11-[3-(dimethylamino)propyl]-6H-benzo[b][1]benzazepin-5-one
CID 28424
N,N-dimethyl-3-[2-(trifluoromethyl)-5,6-dihydrobenzo[b][1]benzazepin-11-yl]propan-1-amine
CID 10089109
3-(2-methoxyphenothiazin-10-yl)-N,N-dimethylpropan-1-amine
CID 18847
10-[3-[bis(trideuteriomethyl)amino]propyl]phenothiazin-2-ol
CID 57369155

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(2-methylsulfanylbenzo[b][1]benzazepin-11-yl)propan-1-amine?
The IUPAC name of N,N-dimethyl-3-(2-methylsulfanylbenzo[b][1]benzazepin-11-yl)propan-1-amine (CID 154324272) is N,N-dimethyl-3-(2-methylsulfanylbenzo[b][1]benzazepin-11-yl)propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-(2-methylsulfanylbenzo[b][1]benzazepin-11-yl)propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-(2-methylsulfanylbenzo[b][1]benzazepin-11-yl)propan-1-amine is CSc1ccc2c(c1)N(CCCN(C)C)c1ccccc1C=C2.
What is the InChIKey of N,N-dimethyl-3-(2-methylsulfanylbenzo[b][1]benzazepin-11-yl)propan-1-amine?
The InChIKey is CRNVMYBSYWTHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2S/c1-21(2)13-6-14-22-19-8-5-4-7-16(19)9-10-17-11-12-18(23-3)15-20(17)22/h4-5,7-12,15H,6,13-14H2,1-3H3.
What are the key properties of N,N-dimethyl-3-(2-methylsulfanylbenzo[b][1]benzazepin-11-yl)propan-1-amine?
N,N-dimethyl-3-(2-methylsulfanylbenzo[b][1]benzazepin-11-yl)propan-1-amine has a molecular weight of 324.49 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(2-methylsulfanylbenzo[b][1]benzazepin-11-yl)propan-1-amine is sourced from PubChem (CID 154324272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).