9-(3-propan-2-yliminopropyl)fluorene-9-carboxamide

C20H22N2O — CID 13368042

IUPAC9-(3-propan-2-yliminopropyl)fluorene-9-carboxamide
SMILESCC(C)/N=C/CCC1(C(N)=O)c2ccccc2-c2ccccc21
InChIInChI=1S/C20H22N2O/c1-14(2)22-13-7-12-20(19(21)23)17-10-5-3-8-15(17)16-9-4-6-11-18(16)20/h3-6,8-11,13-14H,7,12H2,1-2H3,(H2,21,23)/b22-13+
InChIKeyRPVDMIBSNMCAGD-LPYMAVHISA-N
MW306.41 g/mol
LogP3.70
Rot. Bonds5

About 9-(3-propan-2-yliminopropyl)fluorene-9-carboxamide

9-(3-propan-2-yliminopropyl)fluorene-9-carboxamide (PubChem CID 13368042) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 9-(3-propan-2-yliminopropyl)fluorene-9-carboxamide.

Molecular Properties

Compound Name9-(3-propan-2-yliminopropyl)fluorene-9-carboxamide
PubChem CID13368042
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name9-(3-propan-2-yliminopropyl)fluorene-9-carboxamide
SMILESCC(C)/N=C/CCC1(C(N)=O)c2ccccc2-c2ccccc21
InChIInChI=1S/C20H22N2O/c1-14(2)22-13-7-12-20(19(21)23)17-10-5-3-8-15(17)16-9-4-6-11-18(16)20/h3-6,8-11,13-14H,7,12H2,1-2H3,(H2,21,23)/b22-13+
InChIKeyRPVDMIBSNMCAGD-LPYMAVHISA-N
XLogP3.70
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 9-(3-propan-2-yliminopropyl)fluorene-9-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

hydron;9-[3-(propan-2-ylamino)propyl]fluorene-9-carboxamide;chloride
CID 67108062
but-2-enedioic acid;9-[3-(methylamino)butyl]fluorene-9-carboxamide
CID 70441558
1-(9-propylfluoren-9-yl)butan-1-one
CID 18409407
[9-[2-[9-(methoxycarbonyloxymethyl)fluoren-9-yl]ethyl]fluoren-9-yl]methyl methyl carbonate
CID 118345017
[9-(2-methylpropanoyloxymethyl)fluoren-9-yl]methyl 2-methylpropanoate
CID 126613610
3-[9-(3-amino-3-oxopropyl)fluoren-9-yl]propanamide
CID 156840120
methyl 3-[9-[2-[9-(3-methoxy-2-methyl-3-oxopropyl)fluoren-9-yl]ethyl]fluoren-9-yl]-2-methylpropanoate
CID 90136290
7-methyloctyl 9-(methoxymethyl)fluorene-9-carboxylate
CID 90407620
13-methyltetradecyl 9-(methoxymethyl)fluorene-9-carboxylate
CID 90407730
2-[9-[1-(9-methylfluoren-9-yl)ethyl]fluoren-9-yl]acetic acid
CID 118344172
9-[4-[benzyl(propan-2-yl)amino]butyl]fluorene-9-carbonyl chloride
CID 57004342
methyl (2S)-2-[(9-phenylfluoren-9-yl)amino]propanoate
CID 132933261

Frequently Asked Questions

What is the IUPAC name of 9-(3-propan-2-yliminopropyl)fluorene-9-carboxamide?
The IUPAC name of 9-(3-propan-2-yliminopropyl)fluorene-9-carboxamide (CID 13368042) is 9-(3-propan-2-yliminopropyl)fluorene-9-carboxamide.
What is the SMILES notation for 9-(3-propan-2-yliminopropyl)fluorene-9-carboxamide?
The canonical SMILES for 9-(3-propan-2-yliminopropyl)fluorene-9-carboxamide is CC(C)/N=C/CCC1(C(N)=O)c2ccccc2-c2ccccc21.
What is the InChIKey of 9-(3-propan-2-yliminopropyl)fluorene-9-carboxamide?
The InChIKey is RPVDMIBSNMCAGD-LPYMAVHISA-N. The full InChI is InChI=1S/C20H22N2O/c1-14(2)22-13-7-12-20(19(21)23)17-10-5-3-8-15(17)16-9-4-6-11-18(16)20/h3-6,8-11,13-14H,7,12H2,1-2H3,(H2,21,23)/b22-13+.
What are the key properties of 9-(3-propan-2-yliminopropyl)fluorene-9-carboxamide?
9-(3-propan-2-yliminopropyl)fluorene-9-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-propan-2-yliminopropyl)fluorene-9-carboxamide is sourced from PubChem (CID 13368042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).