3-ethyl-3,4-dihydro-2H-chrysene-1,1-diamine

C20H22N2 — CID 174407132

IUPAC3-ethyl-3,4-dihydro-2H-chrysene-1,1-diamine
SMILESCCC1Cc2c(ccc3c2ccc2ccccc23)C(N)(N)C1
InChIInChI=1S/C20H22N2/c1-2-13-11-18-17-8-7-14-5-3-4-6-15(14)16(17)9-10-19(18)20(21,22)12-13/h3-10,13H,2,11-12,21-22H2,1H3
InChIKeyYOYQQDAIMCKTPO-UHFFFAOYSA-N
MW290.41 g/mol
LogP4.04
Rot. Bonds1

About 3-ethyl-3,4-dihydro-2H-chrysene-1,1-diamine

3-ethyl-3,4-dihydro-2H-chrysene-1,1-diamine (PubChem CID 174407132) has the molecular formula C20H22N2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-ethyl-3,4-dihydro-2H-chrysene-1,1-diamine.

Molecular Properties

Compound Name3-ethyl-3,4-dihydro-2H-chrysene-1,1-diamine
PubChem CID174407132
Molecular FormulaC20H22N2
Molecular Weight290.41 g/mol
Exact Mass290.18
IUPAC Name3-ethyl-3,4-dihydro-2H-chrysene-1,1-diamine
SMILESCCC1Cc2c(ccc3c2ccc2ccccc23)C(N)(N)C1
InChIInChI=1S/C20H22N2/c1-2-13-11-18-17-8-7-14-5-3-4-6-15(14)16(17)9-10-19(18)20(21,22)12-13/h3-10,13H,2,11-12,21-22H2,1H3
InChIKeyYOYQQDAIMCKTPO-UHFFFAOYSA-N
XLogP4.04
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3,4-dihydro-2H-chrysene-1,1-diamine?
The IUPAC name of 3-ethyl-3,4-dihydro-2H-chrysene-1,1-diamine (CID 174407132) is 3-ethyl-3,4-dihydro-2H-chrysene-1,1-diamine.
What is the SMILES notation for 3-ethyl-3,4-dihydro-2H-chrysene-1,1-diamine?
The canonical SMILES for 3-ethyl-3,4-dihydro-2H-chrysene-1,1-diamine is CCC1Cc2c(ccc3c2ccc2ccccc23)C(N)(N)C1.
What is the InChIKey of 3-ethyl-3,4-dihydro-2H-chrysene-1,1-diamine?
The InChIKey is YOYQQDAIMCKTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2/c1-2-13-11-18-17-8-7-14-5-3-4-6-15(14)16(17)9-10-19(18)20(21,22)12-13/h3-10,13H,2,11-12,21-22H2,1H3.
What are the key properties of 3-ethyl-3,4-dihydro-2H-chrysene-1,1-diamine?
3-ethyl-3,4-dihydro-2H-chrysene-1,1-diamine has a molecular weight of 290.41 g/mol, XLogP of 4.04, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3,4-dihydro-2H-chrysene-1,1-diamine is sourced from PubChem (CID 174407132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).