N,N-dibutyl-10H-phenothiazin-3-amine

C20H26N2S — CID 68756798

IUPACN,N-dibutyl-10H-phenothiazin-3-amine
SMILESCCCCN(CCCC)c1ccc2c(c1)Sc1ccccc1N2
InChIInChI=1S/C20H26N2S/c1-3-5-13-22(14-6-4-2)16-11-12-18-20(15-16)23-19-10-8-7-9-17(19)21-18/h7-12,15,21H,3-6,13-14H2,1-2H3
InChIKeyGWFVHMFOBHNZRL-UHFFFAOYSA-N
MW326.51 g/mol
LogP6.30
Rot. Bonds7

About N,N-dibutyl-10H-phenothiazin-3-amine

N,N-dibutyl-10H-phenothiazin-3-amine (PubChem CID 68756798) has the molecular formula C20H26N2S and a molecular weight of 326.51 g/mol. Its IUPAC name is N,N-dibutyl-10H-phenothiazin-3-amine.

Molecular Properties

Compound NameN,N-dibutyl-10H-phenothiazin-3-amine
PubChem CID68756798
Molecular FormulaC20H26N2S
Molecular Weight326.51 g/mol
Exact Mass326.18
IUPAC NameN,N-dibutyl-10H-phenothiazin-3-amine
SMILESCCCCN(CCCC)c1ccc2c(c1)Sc1ccccc1N2
InChIInChI=1S/C20H26N2S/c1-3-5-13-22(14-6-4-2)16-11-12-18-20(15-16)23-19-10-8-7-9-17(19)21-18/h7-12,15,21H,3-6,13-14H2,1-2H3
InChIKeyGWFVHMFOBHNZRL-UHFFFAOYSA-N
XLogP6.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.51
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N,3-N,7-N,7-N-tetrabutyl-10H-phenothiazine-3,7-diamine
CID 21441331
N,N-diethyl-10H-phenothiazin-3-amine
CID 68755312
ethane;10H-phenothiazine
CID 90730014
N,N-dibutyl-8-morpholin-4-yl-10H-phenothiazin-2-amine
CID 59442898
N-ethyl-10H-phenothiazin-3-amine
CID 163231038
tris(N,N-dipropyl-10H-phenothiazin-10-ium-3-amine);triiodide
CID 140572417
3-N,3-N,7-N,7-N-tetrapentyl-10H-phenoselenazine-3,7-diamine;hydroiodide
CID 173154937
2-benzyl-7-N,7-N-diethyl-10H-phenothiazine-3,7-diamine
CID 67403241
N,N-dibutyl-4-fluoroaniline
CID 15399711
1-butyl-10H-phenothiazine;hydrate;tetrahydroiodide
CID 173481515
3-(dibutylamino)cyclohepta-2,4,6-trien-1-one
CID 21321486
N-butyl-7-methylidene-N-pentadecylphenothiazin-3-amine
CID 134318201

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-10H-phenothiazin-3-amine?
The IUPAC name of N,N-dibutyl-10H-phenothiazin-3-amine (CID 68756798) is N,N-dibutyl-10H-phenothiazin-3-amine.
What is the SMILES notation for N,N-dibutyl-10H-phenothiazin-3-amine?
The canonical SMILES for N,N-dibutyl-10H-phenothiazin-3-amine is CCCCN(CCCC)c1ccc2c(c1)Sc1ccccc1N2.
What is the InChIKey of N,N-dibutyl-10H-phenothiazin-3-amine?
The InChIKey is GWFVHMFOBHNZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2S/c1-3-5-13-22(14-6-4-2)16-11-12-18-20(15-16)23-19-10-8-7-9-17(19)21-18/h7-12,15,21H,3-6,13-14H2,1-2H3.
What are the key properties of N,N-dibutyl-10H-phenothiazin-3-amine?
N,N-dibutyl-10H-phenothiazin-3-amine has a molecular weight of 326.51 g/mol, XLogP of 6.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-10H-phenothiazin-3-amine is sourced from PubChem (CID 68756798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).