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

C18H18N2 — CID 174437347

IUPAC3,4-dihydro-2H-chrysene-1,1-diamine
SMILESNC1(N)CCCc2c1ccc1c2ccc2ccccc21
InChIInChI=1S/C18H18N2/c19-18(20)11-3-6-16-15-8-7-12-4-1-2-5-13(12)14(15)9-10-17(16)18/h1-2,4-5,7-10H,3,6,11,19-20H2
InChIKeyUXQGXXXWZMZLIJ-UHFFFAOYSA-N
MW262.36 g/mol
LogP3.40
Rot. Bonds

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

3,4-dihydro-2H-chrysene-1,1-diamine (PubChem CID 174437347) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 3,4-dihydro-2H-chrysene-1,1-diamine.

Molecular Properties

Compound Name3,4-dihydro-2H-chrysene-1,1-diamine
PubChem CID174437347
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name3,4-dihydro-2H-chrysene-1,1-diamine
SMILESNC1(N)CCCc2c1ccc1c2ccc2ccccc21
InChIInChI=1S/C18H18N2/c19-18(20)11-3-6-16-15-8-7-12-4-1-2-5-13(12)14(15)9-10-17(16)18/h1-2,4-5,7-10H,3,6,11,19-20H2
InChIKeyUXQGXXXWZMZLIJ-UHFFFAOYSA-N
XLogP3.40
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 53.40
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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Related Compounds

1,1-dimethyl-3,4-dihydro-2H-chrysene
CID 174256276
1-methyl-3,4-dihydro-2H-chrysen-1-ol
CID 174353306
methane;1,2,3,4-tetrahydrochrysene
CID 174298676
benzene;1,2,3,4-tetrahydrochrysene
CID 174248896
palladium;1,2,3,4-tetrahydrochrysene
CID 174462913
3-ethyl-3,4-dihydro-2H-chrysene-1,1-diamine
CID 174407132
CID 174884926
CID 174884926
benzene;methane;1,2,3,4-tetrahydrochrysene
CID 174815578
2,2-dimethyl-3,4-dihydro-1H-picene
CID 14298822
3,3-dimethyl-2,4-dihydro-1H-chrysene
CID 174587374
pentacyclo[11.8.0.02,10.03,7.014,19]henicosa-1(13),2(10),3(7),8,11,14,16,18,20-nonaene
CID 90921064
phenol;1,2,3,4-tetrahydrochrysene
CID 174851188

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chrysene-1,1-diamine?
The IUPAC name of 3,4-dihydro-2H-chrysene-1,1-diamine (CID 174437347) is 3,4-dihydro-2H-chrysene-1,1-diamine.
What is the SMILES notation for 3,4-dihydro-2H-chrysene-1,1-diamine?
The canonical SMILES for 3,4-dihydro-2H-chrysene-1,1-diamine is NC1(N)CCCc2c1ccc1c2ccc2ccccc21.
What is the InChIKey of 3,4-dihydro-2H-chrysene-1,1-diamine?
The InChIKey is UXQGXXXWZMZLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2/c19-18(20)11-3-6-16-15-8-7-12-4-1-2-5-13(12)14(15)9-10-17(16)18/h1-2,4-5,7-10H,3,6,11,19-20H2.
What are the key properties of 3,4-dihydro-2H-chrysene-1,1-diamine?
3,4-dihydro-2H-chrysene-1,1-diamine has a molecular weight of 262.36 g/mol, XLogP of 3.40, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chrysene-1,1-diamine is sourced from PubChem (CID 174437347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).