N-[3-(2-methylphenothiazin-10-yl)propyl]heptan-4-amine

C23H32N2S — CID 143961192

IUPACN-[3-(2-methylphenothiazin-10-yl)propyl]heptan-4-amine
SMILESCCCC(CCC)NCCCN1c2ccccc2Sc2ccc(C)cc21
InChIInChI=1S/C23H32N2S/c1-4-9-19(10-5-2)24-15-8-16-25-20-11-6-7-12-22(20)26-23-14-13-18(3)17-21(23)25/h6-7,11-14,17,19,24H,4-5,8-10,15-16H2,1-3H3
InChIKeyLDQRASFFDQNPEE-UHFFFAOYSA-N
MW368.59 g/mol
LogP6.55
Rot. Bonds9

About N-[3-(2-methylphenothiazin-10-yl)propyl]heptan-4-amine

N-[3-(2-methylphenothiazin-10-yl)propyl]heptan-4-amine (PubChem CID 143961192) has the molecular formula C23H32N2S and a molecular weight of 368.59 g/mol. Its IUPAC name is N-[3-(2-methylphenothiazin-10-yl)propyl]heptan-4-amine.

Molecular Properties

Compound NameN-[3-(2-methylphenothiazin-10-yl)propyl]heptan-4-amine
PubChem CID143961192
Molecular FormulaC23H32N2S
Molecular Weight368.59 g/mol
Exact Mass368.23
IUPAC NameN-[3-(2-methylphenothiazin-10-yl)propyl]heptan-4-amine
SMILESCCCC(CCC)NCCCN1c2ccccc2Sc2ccc(C)cc21
InChIInChI=1S/C23H32N2S/c1-4-9-19(10-5-2)24-15-8-16-25-20-11-6-7-12-22(20)26-23-14-13-18(3)17-21(23)25/h6-7,11-14,17,19,24H,4-5,8-10,15-16H2,1-3H3
InChIKeyLDQRASFFDQNPEE-UHFFFAOYSA-N
XLogP6.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.59
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dimethyl-[3-(2-methylphenothiazin-10-yl)propyl]-pentylazanium
CID 155714523
2-chloro-10-(4-methylheptyl)phenothiazine
CID 155242935
N-ethyl-3-phenothiazin-10-ylpropan-1-amine
CID 61387618
2-[4-[3-(2-methylphenothiazin-10-yl)propyl]piperazin-1-yl]ethanol
CID 67474879
10-butylphenothiazine;propane
CID 177020956
N-methyl-3-phenothiazin-10-ylpropan-1-amine;hydrochloride
CID 155804735
N-[2-[4-[3-(2-methylphenothiazin-10-yl)propyl]piperidin-1-yl]ethyl]butanamide
CID 58080967
10-butylphenothiazine;hydrate;tetrahydroiodide
CID 173485866
1-(2-chlorophenothiazin-10-yl)-N,N-dimethylheptan-4-amine
CID 19029744
3-[4-[3-(2-methylphenothiazin-10-yl)propyl]piperazin-1-yl]propane-1,2-diol
CID 160894276
2-[4-[3-(2-methylphenothiazin-10-yl)propyl]piperidin-1-yl]ethanamine
CID 58080970
1-(2-chlorophenothiazin-10-yl)heptan-4-yl-dimethylazanium bromide
CID 19029743

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylphenothiazin-10-yl)propyl]heptan-4-amine?
The IUPAC name of N-[3-(2-methylphenothiazin-10-yl)propyl]heptan-4-amine (CID 143961192) is N-[3-(2-methylphenothiazin-10-yl)propyl]heptan-4-amine.
What is the SMILES notation for N-[3-(2-methylphenothiazin-10-yl)propyl]heptan-4-amine?
The canonical SMILES for N-[3-(2-methylphenothiazin-10-yl)propyl]heptan-4-amine is CCCC(CCC)NCCCN1c2ccccc2Sc2ccc(C)cc21.
What is the InChIKey of N-[3-(2-methylphenothiazin-10-yl)propyl]heptan-4-amine?
The InChIKey is LDQRASFFDQNPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2S/c1-4-9-19(10-5-2)24-15-8-16-25-20-11-6-7-12-22(20)26-23-14-13-18(3)17-21(23)25/h6-7,11-14,17,19,24H,4-5,8-10,15-16H2,1-3H3.
What are the key properties of N-[3-(2-methylphenothiazin-10-yl)propyl]heptan-4-amine?
N-[3-(2-methylphenothiazin-10-yl)propyl]heptan-4-amine has a molecular weight of 368.59 g/mol, XLogP of 6.55, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylphenothiazin-10-yl)propyl]heptan-4-amine is sourced from PubChem (CID 143961192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).