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

C19H27N3 — CID 174981001

IUPAC1-N-(1,2,3,4-tetrahydroacridin-9-yl)hexane-1,2-diamine
SMILESCCCCC(N)CNc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C19H27N3/c1-2-3-8-14(20)13-21-19-15-9-4-6-11-17(15)22-18-12-7-5-10-16(18)19/h4,6,9,11,14H,2-3,5,7-8,10,12-13,20H2,1H3,(H,21,22)
InChIKeyVWWPUUVOLMVPLO-UHFFFAOYSA-N
MW297.45 g/mol
LogP4.04
Rot. Bonds6

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

1-N-(1,2,3,4-tetrahydroacridin-9-yl)hexane-1,2-diamine (PubChem CID 174981001) has the molecular formula C19H27N3 and a molecular weight of 297.45 g/mol. Its IUPAC name is 1-N-(1,2,3,4-tetrahydroacridin-9-yl)hexane-1,2-diamine.

Molecular Properties

Compound Name1-N-(1,2,3,4-tetrahydroacridin-9-yl)hexane-1,2-diamine
PubChem CID174981001
Molecular FormulaC19H27N3
Molecular Weight297.45 g/mol
Exact Mass297.22
IUPAC Name1-N-(1,2,3,4-tetrahydroacridin-9-yl)hexane-1,2-diamine
SMILESCCCCC(N)CNc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C19H27N3/c1-2-3-8-14(20)13-21-19-15-9-4-6-11-17(15)22-18-12-7-5-10-16(18)19/h4,6,9,11,14H,2-3,5,7-8,10,12-13,20H2,1H3,(H,21,22)
InChIKeyVWWPUUVOLMVPLO-UHFFFAOYSA-N
XLogP4.04
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.45
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-N-(1,2,3,4-tetrahydroacridin-9-yl)hexane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-N-(1,2,3,4-tetrahydroacridin-9-yl)hexane-1,2-diamine?
The IUPAC name of 1-N-(1,2,3,4-tetrahydroacridin-9-yl)hexane-1,2-diamine (CID 174981001) is 1-N-(1,2,3,4-tetrahydroacridin-9-yl)hexane-1,2-diamine.
What is the SMILES notation for 1-N-(1,2,3,4-tetrahydroacridin-9-yl)hexane-1,2-diamine?
The canonical SMILES for 1-N-(1,2,3,4-tetrahydroacridin-9-yl)hexane-1,2-diamine is CCCCC(N)CNc1c2c(nc3ccccc13)CCCC2.
What is the InChIKey of 1-N-(1,2,3,4-tetrahydroacridin-9-yl)hexane-1,2-diamine?
The InChIKey is VWWPUUVOLMVPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3/c1-2-3-8-14(20)13-21-19-15-9-4-6-11-17(15)22-18-12-7-5-10-16(18)19/h4,6,9,11,14H,2-3,5,7-8,10,12-13,20H2,1H3,(H,21,22).
What are the key properties of 1-N-(1,2,3,4-tetrahydroacridin-9-yl)hexane-1,2-diamine?
1-N-(1,2,3,4-tetrahydroacridin-9-yl)hexane-1,2-diamine has a molecular weight of 297.45 g/mol, XLogP of 4.04, 6 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)hexane-1,2-diamine is sourced from PubChem (CID 174981001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).