N-cyclopentyl-N-methyl-N'-phenyl-N'-(3-phenylsulfanylpropyl)ethane-1,2-diamine

C23H32N2S — CID 118584812

IUPACN-cyclopentyl-N-methyl-N'-phenyl-N'-(3-phenylsulfanylpropyl)ethane-1,2-diamine
SMILESCN(CCN(CCCSc1ccccc1)c1ccccc1)C1CCCC1
InChIInChI=1S/C23H32N2S/c1-24(21-11-8-9-12-21)18-19-25(22-13-4-2-5-14-22)17-10-20-26-23-15-6-3-7-16-23/h2-7,13-16,21H,8-12,17-20H2,1H3
InChIKeyHWBJWJZZTUEEJM-UHFFFAOYSA-N
MW368.59 g/mol
LogP5.55
Rot. Bonds10

About N-cyclopentyl-N-methyl-N'-phenyl-N'-(3-phenylsulfanylpropyl)ethane-1,2-diamine

N-cyclopentyl-N-methyl-N'-phenyl-N'-(3-phenylsulfanylpropyl)ethane-1,2-diamine (PubChem CID 118584812) has the molecular formula C23H32N2S and a molecular weight of 368.59 g/mol. Its IUPAC name is N-cyclopentyl-N-methyl-N'-phenyl-N'-(3-phenylsulfanylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopentyl-N-methyl-N'-phenyl-N'-(3-phenylsulfanylpropyl)ethane-1,2-diamine
PubChem CID118584812
Molecular FormulaC23H32N2S
Molecular Weight368.59 g/mol
Exact Mass368.23
IUPAC NameN-cyclopentyl-N-methyl-N'-phenyl-N'-(3-phenylsulfanylpropyl)ethane-1,2-diamine
SMILESCN(CCN(CCCSc1ccccc1)c1ccccc1)C1CCCC1
InChIInChI=1S/C23H32N2S/c1-24(21-11-8-9-12-21)18-19-25(22-13-4-2-5-14-22)17-10-20-26-23-15-6-3-7-16-23/h2-7,13-16,21H,8-12,17-20H2,1H3
InChIKeyHWBJWJZZTUEEJM-UHFFFAOYSA-N
XLogP5.55
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.59
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Promethazine
CID 4927
Promethazine Hydrochloride
CID 6014
(+-)-Ethopropazine
CID 3290
Thenalidine
CID 27901
Ethopropazine Hydrochloride
CID 122824
Methaphenilene
CID 10306
Fenethazine
CID 68223
Diethazine
CID 65535
N1,N1,N2,N2-Tetramethyl-3-(10H-phenothiazin-10-yl)-1,2-propanediamine
CID 19392
N,N,N,alpha-Tetramethyl-10H-phenothiazine-10-ethanaminium
CID 6016
N,N,beta-Trimethyl-10H-phenothiazine-10-ethanamine
CID 110669
(S)-Promethazine
CID 667687

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-methyl-N'-phenyl-N'-(3-phenylsulfanylpropyl)ethane-1,2-diamine?
The IUPAC name of N-cyclopentyl-N-methyl-N'-phenyl-N'-(3-phenylsulfanylpropyl)ethane-1,2-diamine (CID 118584812) is N-cyclopentyl-N-methyl-N'-phenyl-N'-(3-phenylsulfanylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N-cyclopentyl-N-methyl-N'-phenyl-N'-(3-phenylsulfanylpropyl)ethane-1,2-diamine?
The canonical SMILES for N-cyclopentyl-N-methyl-N'-phenyl-N'-(3-phenylsulfanylpropyl)ethane-1,2-diamine is CN(CCN(CCCSc1ccccc1)c1ccccc1)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-methyl-N'-phenyl-N'-(3-phenylsulfanylpropyl)ethane-1,2-diamine?
The InChIKey is HWBJWJZZTUEEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2S/c1-24(21-11-8-9-12-21)18-19-25(22-13-4-2-5-14-22)17-10-20-26-23-15-6-3-7-16-23/h2-7,13-16,21H,8-12,17-20H2,1H3.
What are the key properties of N-cyclopentyl-N-methyl-N'-phenyl-N'-(3-phenylsulfanylpropyl)ethane-1,2-diamine?
N-cyclopentyl-N-methyl-N'-phenyl-N'-(3-phenylsulfanylpropyl)ethane-1,2-diamine has a molecular weight of 368.59 g/mol, XLogP of 5.55, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-methyl-N'-phenyl-N'-(3-phenylsulfanylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 118584812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).