1-N-(1,2,3,4-tetrahydroacridin-9-yl)butane-1,3-diamine

C17H23N3 — CID 141278271

IUPAC1-N-(1,2,3,4-tetrahydroacridin-9-yl)butane-1,3-diamine
SMILESCC(N)CCNc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C17H23N3/c1-12(18)10-11-19-17-13-6-2-4-8-15(13)20-16-9-5-3-7-14(16)17/h2,4,6,8,12H,3,5,7,9-11,18H2,1H3,(H,19,20)
InChIKeyDNBSNBGIRAMTTL-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.26
Rot. Bonds4

About 1-N-(1,2,3,4-tetrahydroacridin-9-yl)butane-1,3-diamine

1-N-(1,2,3,4-tetrahydroacridin-9-yl)butane-1,3-diamine (PubChem CID 141278271) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-N-(1,2,3,4-tetrahydroacridin-9-yl)butane-1,3-diamine.

Molecular Properties

Compound Name1-N-(1,2,3,4-tetrahydroacridin-9-yl)butane-1,3-diamine
PubChem CID141278271
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name1-N-(1,2,3,4-tetrahydroacridin-9-yl)butane-1,3-diamine
SMILESCC(N)CCNc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C17H23N3/c1-12(18)10-11-19-17-13-6-2-4-8-15(13)20-16-9-5-3-7-14(16)17/h2,4,6,8,12H,3,5,7,9-11,18H2,1H3,(H,19,20)
InChIKeyDNBSNBGIRAMTTL-UHFFFAOYSA-N
XLogP3.26
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)decane-1,10-diamine;dihydrochloride
CID 23644646
N-propyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 62202711
1-N-(1,2,3,4-tetrahydroacridin-9-yl)hexane-1,2-diamine
CID 174981001
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'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine;hydrochloride
CID 45265092
N-but-3-ynyl-1,2,3,4-tetrahydroacridin-9-amine
CID 101166036
N-phenyl-N'-(1,2,3,4-tetrahydroacridin-9-yl)dodecane-1,12-diamine
CID 46889316
N',N'-dimethyl-N-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)propane-1,3-diamine
CID 29298
N-[2-(2-aminoethyldisulfanyl)ethyl]-1,2,3,4-tetrahydroacridin-9-amine
CID 155591780
N-(3-ethoxypropyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 110432404

Frequently Asked Questions

What is the IUPAC name of 1-N-(1,2,3,4-tetrahydroacridin-9-yl)butane-1,3-diamine?
The IUPAC name of 1-N-(1,2,3,4-tetrahydroacridin-9-yl)butane-1,3-diamine (CID 141278271) is 1-N-(1,2,3,4-tetrahydroacridin-9-yl)butane-1,3-diamine.
What is the SMILES notation for 1-N-(1,2,3,4-tetrahydroacridin-9-yl)butane-1,3-diamine?
The canonical SMILES for 1-N-(1,2,3,4-tetrahydroacridin-9-yl)butane-1,3-diamine is CC(N)CCNc1c2c(nc3ccccc13)CCCC2.
What is the InChIKey of 1-N-(1,2,3,4-tetrahydroacridin-9-yl)butane-1,3-diamine?
The InChIKey is DNBSNBGIRAMTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-12(18)10-11-19-17-13-6-2-4-8-15(13)20-16-9-5-3-7-14(16)17/h2,4,6,8,12H,3,5,7,9-11,18H2,1H3,(H,19,20).
What are the key properties of 1-N-(1,2,3,4-tetrahydroacridin-9-yl)butane-1,3-diamine?
1-N-(1,2,3,4-tetrahydroacridin-9-yl)butane-1,3-diamine has a molecular weight of 269.39 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1,2,3,4-tetrahydroacridin-9-yl)butane-1,3-diamine is sourced from PubChem (CID 141278271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).