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

C36H46ClN5 — CID 24879378

IUPACN'-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
SMILESC=CCN(CCCCNc1c2c(nc3ccccc13)CCCC2)CCCNc1c2c(nc3ccccc13)CCCC2.Cl
InChIInChI=1S/C36H45N5.ClH/c1-2-24-41(26-13-23-38-36-29-16-5-9-20-33(29)40-34-21-10-6-17-30(34)36)25-12-11-22-37-35-27-14-3-7-18-31(27)39-32-19-8-4-15-28(32)35;/h2-3,5,7,9,14,16,18,20H,1,4,6,8,10-13,15,17,19,21-26H2,(H,37,39)(H,38,40);1H
InChIKeyMAVLXYRKOYSBEE-UHFFFAOYSA-N
MW584.25 g/mol
LogP8.14
Rot. Bonds13

About 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

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 (PubChem CID 24879378) has the molecular formula C36H46ClN5 and a molecular weight of 584.25 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN'-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
PubChem CID24879378
Molecular FormulaC36H46ClN5
Molecular Weight584.25 g/mol
Exact Mass583.34
IUPAC NameN'-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
SMILESC=CCN(CCCCNc1c2c(nc3ccccc13)CCCC2)CCCNc1c2c(nc3ccccc13)CCCC2.Cl
InChIInChI=1S/C36H45N5.ClH/c1-2-24-41(26-13-23-38-36-29-16-5-9-20-33(29)40-34-21-10-6-17-30(34)36)25-12-11-22-37-35-27-14-3-7-18-31(27)39-32-19-8-4-15-28(32)35;/h2-3,5,7,9,14,16,18,20H,1,4,6,8,10-13,15,17,19,21-26H2,(H,37,39)(H,38,40);1H
InChIKeyMAVLXYRKOYSBEE-UHFFFAOYSA-N
XLogP8.14
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.25
LogP ≤ 58.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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'-(2-chloroethyl)-N'-ethyl-N-(1,2,3,4-tetrahydroacridin-9-yl)propane-1,3-diamine;hydrate;dihydrochloride
CID 21153756
N',N'-dimethyl-N-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)propane-1,3-diamine
CID 29298
N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine;hydrochloride
CID 45265092
N-phenyl-N'-(1,2,3,4-tetrahydroacridin-9-yl)dodecane-1,12-diamine
CID 46889316
N-octyl-1,2,3,4-tetrahydroacridin-9-amine
CID 10018304
N-butyl-6,7,8,9,10,11-hexahydrocycloocta[b]quinolin-12-amine;hydrochloride
CID 24837218
N-(7-phenylheptyl)-1,2,3,4-tetrahydroacridin-9-amine
CID 10761844
4-(1,2,3,4-tetrahydroacridin-9-ylamino)butylcarbamic acid
CID 118035689
N-pyridin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)dodecane-1,12-diamine
CID 10623776
N-quinolin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine;hydrochloride
CID 45262034

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=CCN(CCCCNc1c2c(nc3ccccc13)CCCC2)CCCNc1c2c(nc3ccccc13)CCCC2.Cl.
What is the InChIKey of 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?
The InChIKey is MAVLXYRKOYSBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H45N5.ClH/c1-2-24-41(26-13-23-38-36-29-16-5-9-20-33(29)40-34-21-10-6-17-30(34)36)25-12-11-22-37-35-27-14-3-7-18-31(27)39-32-19-8-4-15-28(32)35;/h2-3,5,7,9,14,16,18,20H,1,4,6,8,10-13,15,17,19,21-26H2,(H,37,39)(H,38,40);1H.
What are the key properties of 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?
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 has a molecular weight of 584.25 g/mol, XLogP of 8.14, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 24879378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).