3-[9-(3-aminopropyl)-10H-anthracen-9-yl]propan-1-amine

C20H26N2 — CID 150234775

IUPAC3-[9-(3-aminopropyl)-10H-anthracen-9-yl]propan-1-amine
SMILESNCCCC1(CCCN)c2ccccc2Cc2ccccc21
InChIInChI=1S/C20H26N2/c21-13-5-11-20(12-6-14-22)18-9-3-1-7-16(18)15-17-8-2-4-10-19(17)20/h1-4,7-10H,5-6,11-15,21-22H2
InChIKeyFWGNPEPQXYKWMI-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.35
Rot. Bonds6

About 3-[9-(3-aminopropyl)-10H-anthracen-9-yl]propan-1-amine

3-[9-(3-aminopropyl)-10H-anthracen-9-yl]propan-1-amine (PubChem CID 150234775) has the molecular formula C20H26N2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 3-[9-(3-aminopropyl)-10H-anthracen-9-yl]propan-1-amine.

Molecular Properties

Compound Name3-[9-(3-aminopropyl)-10H-anthracen-9-yl]propan-1-amine
PubChem CID150234775
Molecular FormulaC20H26N2
Molecular Weight294.44 g/mol
Exact Mass294.21
IUPAC Name3-[9-(3-aminopropyl)-10H-anthracen-9-yl]propan-1-amine
SMILESNCCCC1(CCCN)c2ccccc2Cc2ccccc21
InChIInChI=1S/C20H26N2/c21-13-5-11-20(12-6-14-22)18-9-3-1-7-16(18)15-17-8-2-4-10-19(17)20/h1-4,7-10H,5-6,11-15,21-22H2
InChIKeyFWGNPEPQXYKWMI-UHFFFAOYSA-N
XLogP3.35
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[9-[4-[9-(3-aminopropyl)fluoren-9-yl]butyl]fluoren-9-yl]propan-1-amine
CID 90136424
9H-fluorene;hexane-1,6-diamine
CID 19108206
2-[9-(cyanomethyl)-10H-anthracen-9-yl]acetonitrile
CID 150648656
10,10-bis(methoxymethyl)-9H-anthracene
CID 22140519
3-[1-(aminomethyl)-3,4-dihydroisochromen-1-yl]propan-1-amine
CID 171983373
3-[9-(3-aminopropyl)-2,7-diphenylfluoren-9-yl]propan-1-amine
CID 102583704
ethane-1,2-diamine;9H-fluorene
CID 159422270
9,10-dihydroanthracene;methanamine
CID 123513741
bicyclo[4.1.0]hepta-1,3,5-triene;methane
CID 157397080
bicyclo[8.1.0]undeca-1,3,5,7,9-pentaene
CID 91124939
ethane;methane;10,10'-spirobi[9H-anthracene]
CID 157229277
butane;ethanamine;ethane;bis(spiro[9H-anthracene-10,9'-fluorene])
CID 165034994

Frequently Asked Questions

What is the IUPAC name of 3-[9-(3-aminopropyl)-10H-anthracen-9-yl]propan-1-amine?
The IUPAC name of 3-[9-(3-aminopropyl)-10H-anthracen-9-yl]propan-1-amine (CID 150234775) is 3-[9-(3-aminopropyl)-10H-anthracen-9-yl]propan-1-amine.
What is the SMILES notation for 3-[9-(3-aminopropyl)-10H-anthracen-9-yl]propan-1-amine?
The canonical SMILES for 3-[9-(3-aminopropyl)-10H-anthracen-9-yl]propan-1-amine is NCCCC1(CCCN)c2ccccc2Cc2ccccc21.
What is the InChIKey of 3-[9-(3-aminopropyl)-10H-anthracen-9-yl]propan-1-amine?
The InChIKey is FWGNPEPQXYKWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2/c21-13-5-11-20(12-6-14-22)18-9-3-1-7-16(18)15-17-8-2-4-10-19(17)20/h1-4,7-10H,5-6,11-15,21-22H2.
What are the key properties of 3-[9-(3-aminopropyl)-10H-anthracen-9-yl]propan-1-amine?
3-[9-(3-aminopropyl)-10H-anthracen-9-yl]propan-1-amine has a molecular weight of 294.44 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(3-aminopropyl)-10H-anthracen-9-yl]propan-1-amine is sourced from PubChem (CID 150234775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).