4-(1,2,3,4-tetrahydroacridin-9-ylamino)butylcarbamic acid

C18H23N3O2 — CID 118035689

IUPAC4-(1,2,3,4-tetrahydroacridin-9-ylamino)butylcarbamic acid
SMILESO=C(O)NCCCCNc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C18H23N3O2/c22-18(23)20-12-6-5-11-19-17-13-7-1-3-9-15(13)21-16-10-4-2-8-14(16)17/h1,3,7,9,20H,2,4-6,8,10-12H2,(H,19,21)(H,22,23)
InChIKeyGTXQHTOUQLKXLN-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.57
Rot. Bonds6

About 4-(1,2,3,4-tetrahydroacridin-9-ylamino)butylcarbamic acid

4-(1,2,3,4-tetrahydroacridin-9-ylamino)butylcarbamic acid (PubChem CID 118035689) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-(1,2,3,4-tetrahydroacridin-9-ylamino)butylcarbamic acid.

Molecular Properties

Compound Name4-(1,2,3,4-tetrahydroacridin-9-ylamino)butylcarbamic acid
PubChem CID118035689
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name4-(1,2,3,4-tetrahydroacridin-9-ylamino)butylcarbamic acid
SMILESO=C(O)NCCCCNc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C18H23N3O2/c22-18(23)20-12-6-5-11-19-17-13-7-1-3-9-15(13)21-16-10-4-2-8-14(16)17/h1,3,7,9,20H,2,4-6,8,10-12H2,(H,19,21)(H,22,23)
InChIKeyGTXQHTOUQLKXLN-UHFFFAOYSA-N
XLogP3.57
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]propanamide
CID 24799949
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-hydroxy-7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptanamide
CID 86293041
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
4-fluoro-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]benzamide;hydrochloride
CID 53361168
N-(7-phenylheptyl)-1,2,3,4-tetrahydroacridin-9-amine
CID 10761844
N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine;hydrochloride
CID 45265092
[3-oxo-3-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butylamino]propyl] nitrate
CID 24800295
S-[1-oxo-1-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propylamino]propan-2-yl] ethanethioate
CID 66549587
(2E,4E)-5-phenyl-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]penta-2,4-dienamide
CID 122387165

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,3,4-tetrahydroacridin-9-ylamino)butylcarbamic acid?
The IUPAC name of 4-(1,2,3,4-tetrahydroacridin-9-ylamino)butylcarbamic acid (CID 118035689) is 4-(1,2,3,4-tetrahydroacridin-9-ylamino)butylcarbamic acid.
What is the SMILES notation for 4-(1,2,3,4-tetrahydroacridin-9-ylamino)butylcarbamic acid?
The canonical SMILES for 4-(1,2,3,4-tetrahydroacridin-9-ylamino)butylcarbamic acid is O=C(O)NCCCCNc1c2c(nc3ccccc13)CCCC2.
What is the InChIKey of 4-(1,2,3,4-tetrahydroacridin-9-ylamino)butylcarbamic acid?
The InChIKey is GTXQHTOUQLKXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c22-18(23)20-12-6-5-11-19-17-13-7-1-3-9-15(13)21-16-10-4-2-8-14(16)17/h1,3,7,9,20H,2,4-6,8,10-12H2,(H,19,21)(H,22,23).
What are the key properties of 4-(1,2,3,4-tetrahydroacridin-9-ylamino)butylcarbamic acid?
4-(1,2,3,4-tetrahydroacridin-9-ylamino)butylcarbamic acid has a molecular weight of 313.40 g/mol, XLogP of 3.57, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,3,4-tetrahydroacridin-9-ylamino)butylcarbamic acid is sourced from PubChem (CID 118035689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).