N'-methyl-N-(1,2,3,4-tetrahydroacridin-9-yl)-N'-[4-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)butyl]propane-1,3-diamine

C34H42N4S — CID 11330142

IUPACN'-methyl-N-(1,2,3,4-tetrahydroacridin-9-yl)-N'-[4-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)butyl]propane-1,3-diamine
SMILESCN(CCCCSc1c2c(nc3ccccc13)CCCC2)CCCNc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C34H42N4S/c1-38(23-12-21-35-33-25-13-2-6-17-29(25)36-30-18-7-3-14-26(30)33)22-10-11-24-39-34-27-15-4-8-19-31(27)37-32-20-9-5-16-28(32)34/h2,4,6,8,13,15,17,19H,3,5,7,9-12,14,16,18,20-24H2,1H3,(H,35,36)
InChIKeyMWTLPACFPNMFHP-UHFFFAOYSA-N
MW538.81 g/mol
LogP7.85
Rot. Bonds11

About N'-methyl-N-(1,2,3,4-tetrahydroacridin-9-yl)-N'-[4-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)butyl]propane-1,3-diamine

N'-methyl-N-(1,2,3,4-tetrahydroacridin-9-yl)-N'-[4-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)butyl]propane-1,3-diamine (PubChem CID 11330142) has the molecular formula C34H42N4S and a molecular weight of 538.81 g/mol. Its IUPAC name is N'-methyl-N-(1,2,3,4-tetrahydroacridin-9-yl)-N'-[4-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)butyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N-(1,2,3,4-tetrahydroacridin-9-yl)-N'-[4-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)butyl]propane-1,3-diamine
PubChem CID11330142
Molecular FormulaC34H42N4S
Molecular Weight538.81 g/mol
Exact Mass538.31
IUPAC NameN'-methyl-N-(1,2,3,4-tetrahydroacridin-9-yl)-N'-[4-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)butyl]propane-1,3-diamine
SMILESCN(CCCCSc1c2c(nc3ccccc13)CCCC2)CCCNc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C34H42N4S/c1-38(23-12-21-35-33-25-13-2-6-17-29(25)36-30-18-7-3-14-26(30)33)22-10-11-24-39-34-27-15-4-8-19-31(27)37-32-20-9-5-16-28(32)34/h2,4,6,8,13,15,17,19H,3,5,7,9-12,14,16,18,20-24H2,1H3,(H,35,36)
InChIKeyMWTLPACFPNMFHP-UHFFFAOYSA-N
XLogP7.85
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.81
LogP ≤ 57.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-methyl-N-(1,2,3,4-tetrahydroacridin-9-yl)-N'-[4-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)butyl]propane-1,3-diamine with MolForge

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Launch Full Analysis

Related Compounds

N',N'-dimethyl-N-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)propane-1,3-diamine
CID 29298
N,N-dimethyl-2-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-ylsulfanyl)ethanamine
CID 29285
N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)decane-1,10-diamine;dihydrochloride
CID 23644646
N,N'-bis(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)hexane-1,6-diamine
CID 15490813
N-butyl-6,7,8,9,10,11-hexahydrocycloocta[b]quinolin-12-amine;hydrochloride
CID 24837218
N-octyl-1,2,3,4-tetrahydroacridin-9-amine
CID 10018304
N'-(2-chloroethyl)-N'-ethyl-N-(1,2,3,4-tetrahydroacridin-9-yl)propane-1,3-diamine;hydrate;dihydrochloride
CID 21153756
N'-prop-2-enyl-N-(1,2,3,4-tetrahydroacridin-9-yl)-N'-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]butane-1,4-diamine;hydrochloride
CID 24879378
N-phenyl-N'-(1,2,3,4-tetrahydroacridin-9-yl)dodecane-1,12-diamine
CID 46889316
N-(3-aminopropyl)-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]acetamide
CID 10959176
1-N-(1,2,3,4-tetrahydroacridin-9-yl)butane-1,3-diamine
CID 141278271
N-propyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 62202711

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(1,2,3,4-tetrahydroacridin-9-yl)-N'-[4-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)butyl]propane-1,3-diamine?
The IUPAC name of N'-methyl-N-(1,2,3,4-tetrahydroacridin-9-yl)-N'-[4-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)butyl]propane-1,3-diamine (CID 11330142) is N'-methyl-N-(1,2,3,4-tetrahydroacridin-9-yl)-N'-[4-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)butyl]propane-1,3-diamine.
What is the SMILES notation for N'-methyl-N-(1,2,3,4-tetrahydroacridin-9-yl)-N'-[4-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)butyl]propane-1,3-diamine?
The canonical SMILES for N'-methyl-N-(1,2,3,4-tetrahydroacridin-9-yl)-N'-[4-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)butyl]propane-1,3-diamine is CN(CCCCSc1c2c(nc3ccccc13)CCCC2)CCCNc1c2c(nc3ccccc13)CCCC2.
What is the InChIKey of N'-methyl-N-(1,2,3,4-tetrahydroacridin-9-yl)-N'-[4-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)butyl]propane-1,3-diamine?
The InChIKey is MWTLPACFPNMFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42N4S/c1-38(23-12-21-35-33-25-13-2-6-17-29(25)36-30-18-7-3-14-26(30)33)22-10-11-24-39-34-27-15-4-8-19-31(27)37-32-20-9-5-16-28(32)34/h2,4,6,8,13,15,17,19H,3,5,7,9-12,14,16,18,20-24H2,1H3,(H,35,36).
What are the key properties of N'-methyl-N-(1,2,3,4-tetrahydroacridin-9-yl)-N'-[4-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)butyl]propane-1,3-diamine?
N'-methyl-N-(1,2,3,4-tetrahydroacridin-9-yl)-N'-[4-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)butyl]propane-1,3-diamine has a molecular weight of 538.81 g/mol, XLogP of 7.85, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(1,2,3,4-tetrahydroacridin-9-yl)-N'-[4-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)butyl]propane-1,3-diamine is sourced from PubChem (CID 11330142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).