N,N-dimethyl-1-propyl-10H-phenothiazin-2-amine

C17H20N2S — CID 157406614

IUPACN,N-dimethyl-1-propyl-10H-phenothiazin-2-amine
SMILESCCCc1c(N(C)C)ccc2c1Nc1ccccc1S2
InChIInChI=1S/C17H20N2S/c1-4-7-12-14(19(2)3)10-11-16-17(12)18-13-8-5-6-9-15(13)20-16/h5-6,8-11,18H,4,7H2,1-3H3
InChIKeyBNUDWDLUJNIMET-UHFFFAOYSA-N
MW284.43 g/mol
LogP4.91
Rot. Bonds3

About N,N-dimethyl-1-propyl-10H-phenothiazin-2-amine

N,N-dimethyl-1-propyl-10H-phenothiazin-2-amine (PubChem CID 157406614) has the molecular formula C17H20N2S and a molecular weight of 284.43 g/mol. Its IUPAC name is N,N-dimethyl-1-propyl-10H-phenothiazin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-propyl-10H-phenothiazin-2-amine
PubChem CID157406614
Molecular FormulaC17H20N2S
Molecular Weight284.43 g/mol
Exact Mass284.13
IUPAC NameN,N-dimethyl-1-propyl-10H-phenothiazin-2-amine
SMILESCCCc1c(N(C)C)ccc2c1Nc1ccccc1S2
InChIInChI=1S/C17H20N2S/c1-4-7-12-14(19(2)3)10-11-16-17(12)18-13-8-5-6-9-15(13)20-16/h5-6,8-11,18H,4,7H2,1-3H3
InChIKeyBNUDWDLUJNIMET-UHFFFAOYSA-N
XLogP4.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-di(tetracosyl)-10H-phenothiazine
CID 19756653
ethane;10H-phenothiazine
CID 90730014
1-butyl-10H-phenothiazine;hydrate;tetrahydroiodide
CID 173481515
1-[6-(10H-phenothiazin-1-yl)hexyl]-10H-phenothiazine
CID 141242278
copper;10H-phenothiazine;hydrochloride
CID 70634229
10H-phenothiazine-1,2-diol
CID 19596784
ethylcarbamic acid;10H-phenothiazine
CID 57349508
N,N-diethyl-2-(10H-phenothiazin-1-yl)propan-1-amine
CID 172808842
1-(2-methylheptan-2-yl)-10H-phenothiazine
CID 54452151
2-methyl-10H-phenothiazine
CID 611628
10H-phenothiazine-1-carbaldehyde
CID 12553558
N,N-diethyl-10H-phenothiazin-3-amine
CID 68755312

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-propyl-10H-phenothiazin-2-amine?
The IUPAC name of N,N-dimethyl-1-propyl-10H-phenothiazin-2-amine (CID 157406614) is N,N-dimethyl-1-propyl-10H-phenothiazin-2-amine.
What is the SMILES notation for N,N-dimethyl-1-propyl-10H-phenothiazin-2-amine?
The canonical SMILES for N,N-dimethyl-1-propyl-10H-phenothiazin-2-amine is CCCc1c(N(C)C)ccc2c1Nc1ccccc1S2.
What is the InChIKey of N,N-dimethyl-1-propyl-10H-phenothiazin-2-amine?
The InChIKey is BNUDWDLUJNIMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2S/c1-4-7-12-14(19(2)3)10-11-16-17(12)18-13-8-5-6-9-15(13)20-16/h5-6,8-11,18H,4,7H2,1-3H3.
What are the key properties of N,N-dimethyl-1-propyl-10H-phenothiazin-2-amine?
N,N-dimethyl-1-propyl-10H-phenothiazin-2-amine has a molecular weight of 284.43 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-propyl-10H-phenothiazin-2-amine is sourced from PubChem (CID 157406614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).