4-anthracen-9-yl-3-N-ethylbutane-1,3-diamine

C20H24N2 — CID 87506080

IUPAC4-anthracen-9-yl-3-N-ethylbutane-1,3-diamine
SMILESCCNC(CCN)Cc1c2ccccc2cc2ccccc12
InChIInChI=1S/C20H24N2/c1-2-22-17(11-12-21)14-20-18-9-5-3-7-15(18)13-16-8-4-6-10-19(16)20/h3-10,13,17,22H,2,11-12,14,21H2,1H3
InChIKeyTXBMEMTVIYLMHH-UHFFFAOYSA-N
MW292.43 g/mol
LogP3.86
Rot. Bonds6

About 4-anthracen-9-yl-3-N-ethylbutane-1,3-diamine

4-anthracen-9-yl-3-N-ethylbutane-1,3-diamine (PubChem CID 87506080) has the molecular formula C20H24N2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 4-anthracen-9-yl-3-N-ethylbutane-1,3-diamine.

Molecular Properties

Compound Name4-anthracen-9-yl-3-N-ethylbutane-1,3-diamine
PubChem CID87506080
Molecular FormulaC20H24N2
Molecular Weight292.43 g/mol
Exact Mass292.19
IUPAC Name4-anthracen-9-yl-3-N-ethylbutane-1,3-diamine
SMILESCCNC(CCN)Cc1c2ccccc2cc2ccccc12
InChIInChI=1S/C20H24N2/c1-2-22-17(11-12-21)14-20-18-9-5-3-7-15(18)13-16-8-4-6-10-19(16)20/h3-10,13,17,22H,2,11-12,14,21H2,1H3
InChIKeyTXBMEMTVIYLMHH-UHFFFAOYSA-N
XLogP3.86
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1-anthracen-9-ylpropan-2-ol
CID 19889136
N-ethyl-5-methyl-1-naphthalen-2-ylhexan-2-amine
CID 63527714
1,3-di(anthracen-9-yl)propan-2-ol
CID 14980286
ethyl 2-amino-3-anthracen-9-ylpropanoate
CID 170884626
2-amino-3-anthracen-9-ylpropan-1-ol;hydrochloride
CID 170891747
(2S)-2-amino-3-anthracen-9-ylpropanal
CID 126702373
9-(anthracen-9-ylmethyl)anthracene;ethane
CID 91026872
N-ethyl-1-naphthalen-1-ylhept-6-yn-2-amine
CID 105179696
N-ethyl-1-naphthalen-2-ylheptan-2-amine
CID 63527367
1-anthracen-9-ylpropan-2-ylphosphonic acid
CID 160754255
N'-(anthracen-9-ylmethyl)butane-1,4-diamine
CID 11208207
butan-1-amine;9-(hydroperoxymethyl)anthracene;molecular hydrogen
CID 156724477

Frequently Asked Questions

What is the IUPAC name of 4-anthracen-9-yl-3-N-ethylbutane-1,3-diamine?
The IUPAC name of 4-anthracen-9-yl-3-N-ethylbutane-1,3-diamine (CID 87506080) is 4-anthracen-9-yl-3-N-ethylbutane-1,3-diamine.
What is the SMILES notation for 4-anthracen-9-yl-3-N-ethylbutane-1,3-diamine?
The canonical SMILES for 4-anthracen-9-yl-3-N-ethylbutane-1,3-diamine is CCNC(CCN)Cc1c2ccccc2cc2ccccc12.
What is the InChIKey of 4-anthracen-9-yl-3-N-ethylbutane-1,3-diamine?
The InChIKey is TXBMEMTVIYLMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2/c1-2-22-17(11-12-21)14-20-18-9-5-3-7-15(18)13-16-8-4-6-10-19(16)20/h3-10,13,17,22H,2,11-12,14,21H2,1H3.
What are the key properties of 4-anthracen-9-yl-3-N-ethylbutane-1,3-diamine?
4-anthracen-9-yl-3-N-ethylbutane-1,3-diamine has a molecular weight of 292.43 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anthracen-9-yl-3-N-ethylbutane-1,3-diamine is sourced from PubChem (CID 87506080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).