N'-(9,10-dihydroanthracen-9-yl)propane-1,3-diamine

C17H20N2 — CID 55131389

IUPACN'-(9,10-dihydroanthracen-9-yl)propane-1,3-diamine
SMILESNCCCNC1c2ccccc2Cc2ccccc21
InChIInChI=1S/C17H20N2/c18-10-5-11-19-17-15-8-3-1-6-13(15)12-14-7-2-4-9-16(14)17/h1-4,6-9,17,19H,5,10-12,18H2
InChIKeyQCGXIDNYYJBQDT-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.62
Rot. Bonds4

About N'-(9,10-dihydroanthracen-9-yl)propane-1,3-diamine

N'-(9,10-dihydroanthracen-9-yl)propane-1,3-diamine (PubChem CID 55131389) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N'-(9,10-dihydroanthracen-9-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(9,10-dihydroanthracen-9-yl)propane-1,3-diamine
PubChem CID55131389
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC NameN'-(9,10-dihydroanthracen-9-yl)propane-1,3-diamine
SMILESNCCCNC1c2ccccc2Cc2ccccc21
InChIInChI=1S/C17H20N2/c18-10-5-11-19-17-15-8-3-1-6-13(15)12-14-7-2-4-9-16(14)17/h1-4,6-9,17,19H,5,10-12,18H2
InChIKeyQCGXIDNYYJBQDT-UHFFFAOYSA-N
XLogP2.62
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(9,10-dihydroanthracen-9-yl)propane-1,3-diamine?
The IUPAC name of N'-(9,10-dihydroanthracen-9-yl)propane-1,3-diamine (CID 55131389) is N'-(9,10-dihydroanthracen-9-yl)propane-1,3-diamine.
What is the SMILES notation for N'-(9,10-dihydroanthracen-9-yl)propane-1,3-diamine?
The canonical SMILES for N'-(9,10-dihydroanthracen-9-yl)propane-1,3-diamine is NCCCNC1c2ccccc2Cc2ccccc21.
What is the InChIKey of N'-(9,10-dihydroanthracen-9-yl)propane-1,3-diamine?
The InChIKey is QCGXIDNYYJBQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c18-10-5-11-19-17-15-8-3-1-6-13(15)12-14-7-2-4-9-16(14)17/h1-4,6-9,17,19H,5,10-12,18H2.
What are the key properties of N'-(9,10-dihydroanthracen-9-yl)propane-1,3-diamine?
N'-(9,10-dihydroanthracen-9-yl)propane-1,3-diamine has a molecular weight of 252.36 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(9,10-dihydroanthracen-9-yl)propane-1,3-diamine is sourced from PubChem (CID 55131389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).