[9-(propan-2-ylamino)-9-[3-(propan-2-ylamino)propyl]-2H-fluoren-1-ylidene]methanone

C23H30N2O — CID 88786612

IUPAC[9-(propan-2-ylamino)-9-[3-(propan-2-ylamino)propyl]-2H-fluoren-1-ylidene]methanone
SMILESCC(C)NCCCC1(NC(C)C)C2=C(C=CCC2=C=O)c2ccccc21
InChIInChI=1S/C23H30N2O/c1-16(2)24-14-8-13-23(25-17(3)4)21-12-6-5-10-19(21)20-11-7-9-18(15-26)22(20)23/h5-7,10-12,16-17,24-25H,8-9,13-14H2,1-4H3
InChIKeyJSQRAHZCYFJTQA-UHFFFAOYSA-N
MW350.51 g/mol
LogP4.14
Rot. Bonds7

About [9-(propan-2-ylamino)-9-[3-(propan-2-ylamino)propyl]-2H-fluoren-1-ylidene]methanone

[9-(propan-2-ylamino)-9-[3-(propan-2-ylamino)propyl]-2H-fluoren-1-ylidene]methanone (PubChem CID 88786612) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is [9-(propan-2-ylamino)-9-[3-(propan-2-ylamino)propyl]-2H-fluoren-1-ylidene]methanone.

Molecular Properties

Compound Name[9-(propan-2-ylamino)-9-[3-(propan-2-ylamino)propyl]-2H-fluoren-1-ylidene]methanone
PubChem CID88786612
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC Name[9-(propan-2-ylamino)-9-[3-(propan-2-ylamino)propyl]-2H-fluoren-1-ylidene]methanone
SMILESCC(C)NCCCC1(NC(C)C)C2=C(C=CCC2=C=O)c2ccccc21
InChIInChI=1S/C23H30N2O/c1-16(2)24-14-8-13-23(25-17(3)4)21-12-6-5-10-19(21)20-11-7-9-18(15-26)22(20)23/h5-7,10-12,16-17,24-25H,8-9,13-14H2,1-4H3
InChIKeyJSQRAHZCYFJTQA-UHFFFAOYSA-N
XLogP4.14
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [9-(propan-2-ylamino)-9-[3-(propan-2-ylamino)propyl]-2H-fluoren-1-ylidene]methanone?
The IUPAC name of [9-(propan-2-ylamino)-9-[3-(propan-2-ylamino)propyl]-2H-fluoren-1-ylidene]methanone (CID 88786612) is [9-(propan-2-ylamino)-9-[3-(propan-2-ylamino)propyl]-2H-fluoren-1-ylidene]methanone.
What is the SMILES notation for [9-(propan-2-ylamino)-9-[3-(propan-2-ylamino)propyl]-2H-fluoren-1-ylidene]methanone?
The canonical SMILES for [9-(propan-2-ylamino)-9-[3-(propan-2-ylamino)propyl]-2H-fluoren-1-ylidene]methanone is CC(C)NCCCC1(NC(C)C)C2=C(C=CCC2=C=O)c2ccccc21.
What is the InChIKey of [9-(propan-2-ylamino)-9-[3-(propan-2-ylamino)propyl]-2H-fluoren-1-ylidene]methanone?
The InChIKey is JSQRAHZCYFJTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O/c1-16(2)24-14-8-13-23(25-17(3)4)21-12-6-5-10-19(21)20-11-7-9-18(15-26)22(20)23/h5-7,10-12,16-17,24-25H,8-9,13-14H2,1-4H3.
What are the key properties of [9-(propan-2-ylamino)-9-[3-(propan-2-ylamino)propyl]-2H-fluoren-1-ylidene]methanone?
[9-(propan-2-ylamino)-9-[3-(propan-2-ylamino)propyl]-2H-fluoren-1-ylidene]methanone has a molecular weight of 350.51 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [9-(propan-2-ylamino)-9-[3-(propan-2-ylamino)propyl]-2H-fluoren-1-ylidene]methanone is sourced from PubChem (CID 88786612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).