N-but-3-ynyl-1,2,3,4-tetrahydroacridin-9-amine

C17H18N2 — CID 101166036

IUPACN-but-3-ynyl-1,2,3,4-tetrahydroacridin-9-amine
SMILESC#CCCNc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C17H18N2/c1-2-3-12-18-17-13-8-4-6-10-15(13)19-16-11-7-5-9-14(16)17/h1,4,6,8,10H,3,5,7,9,11-12H2,(H,18,19)
InChIKeyRJRXHEAALLXCSI-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.55
Rot. Bonds3

About N-but-3-ynyl-1,2,3,4-tetrahydroacridin-9-amine

N-but-3-ynyl-1,2,3,4-tetrahydroacridin-9-amine (PubChem CID 101166036) has the molecular formula C17H18N2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-but-3-ynyl-1,2,3,4-tetrahydroacridin-9-amine.

Molecular Properties

Compound NameN-but-3-ynyl-1,2,3,4-tetrahydroacridin-9-amine
PubChem CID101166036
Molecular FormulaC17H18N2
Molecular Weight250.34 g/mol
Exact Mass250.15
IUPAC NameN-but-3-ynyl-1,2,3,4-tetrahydroacridin-9-amine
SMILESC#CCCNc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C17H18N2/c1-2-3-12-18-17-13-8-4-6-10-15(13)19-16-11-7-5-9-14(16)17/h1,4,6,8,10H,3,5,7,9,11-12H2,(H,18,19)
InChIKeyRJRXHEAALLXCSI-UHFFFAOYSA-N
XLogP3.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', '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-propyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 62202711
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
1-N-(1,2,3,4-tetrahydroacridin-9-yl)butane-1,3-diamine
CID 141278271
N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine;hydrochloride
CID 45265092
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
4-(1,2,3,4-tetrahydroacridin-9-ylamino)butylcarbamic acid
CID 118035689
N',N'-dimethyl-N-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)propane-1,3-diamine
CID 29298

Frequently Asked Questions

What is the IUPAC name of N-but-3-ynyl-1,2,3,4-tetrahydroacridin-9-amine?
The IUPAC name of N-but-3-ynyl-1,2,3,4-tetrahydroacridin-9-amine (CID 101166036) is N-but-3-ynyl-1,2,3,4-tetrahydroacridin-9-amine.
What is the SMILES notation for N-but-3-ynyl-1,2,3,4-tetrahydroacridin-9-amine?
The canonical SMILES for N-but-3-ynyl-1,2,3,4-tetrahydroacridin-9-amine is C#CCCNc1c2c(nc3ccccc13)CCCC2.
What is the InChIKey of N-but-3-ynyl-1,2,3,4-tetrahydroacridin-9-amine?
The InChIKey is RJRXHEAALLXCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2/c1-2-3-12-18-17-13-8-4-6-10-15(13)19-16-11-7-5-9-14(16)17/h1,4,6,8,10H,3,5,7,9,11-12H2,(H,18,19).
What are the key properties of N-but-3-ynyl-1,2,3,4-tetrahydroacridin-9-amine?
N-but-3-ynyl-1,2,3,4-tetrahydroacridin-9-amine has a molecular weight of 250.34 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-ynyl-1,2,3,4-tetrahydroacridin-9-amine is sourced from PubChem (CID 101166036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).