N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)decane-1,10-diamine;dihydrochloride

C36H48Cl2N4 — CID 23644646

IUPACN,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)decane-1,10-diamine;dihydrochloride
SMILESCl.Cl.c1ccc2c(NCCCCCCCCCCNc3c4c(nc5ccccc35)CCCC4)c3c(nc2c1)CCCC3
InChIInChI=1S/C36H46N4.2ClH/c1(3-5-15-25-37-35-27-17-7-11-21-31(27)39-32-22-12-8-18-28(32)35)2-4-6-16-26-38-36-29-19-9-13-23-33(29)40-34-24-14-10-20-30(34)36;;/h7,9,11,13,17,19,21,23H,1-6,8,10,12,14-16,18,20,22,24-26H2,(H,37,39)(H,38,40);2*1H
InChIKeyLAVUMGGRBXXGBV-UHFFFAOYSA-N
MW607.71 g/mol
LogP10.03
Rot. Bonds13

About N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)decane-1,10-diamine;dihydrochloride

N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)decane-1,10-diamine;dihydrochloride (PubChem CID 23644646) has the molecular formula C36H48Cl2N4 and a molecular weight of 607.71 g/mol. Its IUPAC name is N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)decane-1,10-diamine;dihydrochloride.

Molecular Properties

Compound NameN,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)decane-1,10-diamine;dihydrochloride
PubChem CID23644646
Molecular FormulaC36H48Cl2N4
Molecular Weight607.71 g/mol
Exact Mass606.33
IUPAC NameN,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)decane-1,10-diamine;dihydrochloride
SMILESCl.Cl.c1ccc2c(NCCCCCCCCCCNc3c4c(nc5ccccc35)CCCC4)c3c(nc2c1)CCCC3
InChIInChI=1S/C36H46N4.2ClH/c1(3-5-15-25-37-35-27-17-7-11-21-31(27)39-32-22-12-8-18-28(32)35)2-4-6-16-26-38-36-29-19-9-13-23-33(29)40-34-24-14-10-20-30(34)36;;/h7,9,11,13,17,19,21,23H,1-6,8,10,12,14-16,18,20,22,24-26H2,(H,37,39)(H,38,40);2*1H
InChIKeyLAVUMGGRBXXGBV-UHFFFAOYSA-N
XLogP10.03
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.71
LogP ≤ 510.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)hexane-1,6-diamine
CID 15490813
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-(7-phenylheptyl)-1,2,3,4-tetrahydroacridin-9-amine
CID 10761844
N-butyl-6,7,8,9,10,11-hexahydrocycloocta[b]quinolin-12-amine;hydrochloride
CID 24837218
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
4-(1,2,3,4-tetrahydroacridin-9-ylamino)butylcarbamic acid
CID 118035689
N-quinolin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine
CID 11743869
2-[[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexylamino]methyl]phenol
CID 71460116
N-hydroxy-7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptanamide
CID 86293041

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)decane-1,10-diamine;dihydrochloride?
The IUPAC name of N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)decane-1,10-diamine;dihydrochloride (CID 23644646) is N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)decane-1,10-diamine;dihydrochloride.
What is the SMILES notation for N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)decane-1,10-diamine;dihydrochloride?
The canonical SMILES for N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)decane-1,10-diamine;dihydrochloride is Cl.Cl.c1ccc2c(NCCCCCCCCCCNc3c4c(nc5ccccc35)CCCC4)c3c(nc2c1)CCCC3.
What is the InChIKey of N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)decane-1,10-diamine;dihydrochloride?
The InChIKey is LAVUMGGRBXXGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H46N4.2ClH/c1(3-5-15-25-37-35-27-17-7-11-21-31(27)39-32-22-12-8-18-28(32)35)2-4-6-16-26-38-36-29-19-9-13-23-33(29)40-34-24-14-10-20-30(34)36;;/h7,9,11,13,17,19,21,23H,1-6,8,10,12,14-16,18,20,22,24-26H2,(H,37,39)(H,38,40);2*1H.
What are the key properties of N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)decane-1,10-diamine;dihydrochloride?
N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)decane-1,10-diamine;dihydrochloride has a molecular weight of 607.71 g/mol, XLogP of 10.03, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)decane-1,10-diamine;dihydrochloride is sourced from PubChem (CID 23644646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).