N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine;hydrochloride

C20H30ClN3 — CID 45265092

IUPACN'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine;hydrochloride
SMILESCl.NCCCCCCCNc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C20H29N3.ClH/c21-14-8-2-1-3-9-15-22-20-16-10-4-6-12-18(16)23-19-13-7-5-11-17(19)20;/h4,6,10,12H,1-3,5,7-9,11,13-15,21H2,(H,22,23);1H
InChIKeyJUIPZPOTRODEHD-UHFFFAOYSA-N
MW347.93 g/mol
LogP4.86
Rot. Bonds8

About N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine;hydrochloride

N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine;hydrochloride (PubChem CID 45265092) has the molecular formula C20H30ClN3 and a molecular weight of 347.93 g/mol. Its IUPAC name is N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine;hydrochloride.

Molecular Properties

Compound NameN'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine;hydrochloride
PubChem CID45265092
Molecular FormulaC20H30ClN3
Molecular Weight347.93 g/mol
Exact Mass347.21
IUPAC NameN'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine;hydrochloride
SMILESCl.NCCCCCCCNc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C20H29N3.ClH/c21-14-8-2-1-3-9-15-22-20-16-10-4-6-12-18(16)23-19-13-7-5-11-17(19)20;/h4,6,10,12H,1-3,5,7-9,11,13-15,21H2,(H,22,23);1H
InChIKeyJUIPZPOTRODEHD-UHFFFAOYSA-N
XLogP4.86
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.93
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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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-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-[2-(2-aminoethyldisulfanyl)ethyl]-1,2,3,4-tetrahydroacridin-9-amine
CID 155591780
N-butyl-6,7,8,9,10,11-hexahydrocycloocta[b]quinolin-12-amine;hydrochloride
CID 24837218
N'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine
CID 67068837
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-(3-aminopropyl)-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]acetamide
CID 10959176

Frequently Asked Questions

What is the IUPAC name of N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine;hydrochloride?
The IUPAC name of N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine;hydrochloride (CID 45265092) is N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine;hydrochloride.
What is the SMILES notation for N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine;hydrochloride?
The canonical SMILES for N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine;hydrochloride is Cl.NCCCCCCCNc1c2c(nc3ccccc13)CCCC2.
What is the InChIKey of N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine;hydrochloride?
The InChIKey is JUIPZPOTRODEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3.ClH/c21-14-8-2-1-3-9-15-22-20-16-10-4-6-12-18(16)23-19-13-7-5-11-17(19)20;/h4,6,10,12H,1-3,5,7-9,11,13-15,21H2,(H,22,23);1H.
What are the key properties of N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine;hydrochloride?
N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine;hydrochloride has a molecular weight of 347.93 g/mol, XLogP of 4.86, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine;hydrochloride is sourced from PubChem (CID 45265092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).