hydron;9-[3-(propan-2-ylamino)propyl]fluorene-9-carboxamide;chloride

C20H25ClN2O — CID 67108062

IUPAChydron;9-[3-(propan-2-ylamino)propyl]fluorene-9-carboxamide;chloride
SMILESCC(C)NCCCC1(C(N)=O)c2ccccc2-c2ccccc21.[Cl-].[H+]
InChIInChI=1S/C20H24N2O.ClH/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;/h3-6,8-11,14,22H,7,12-13H2,1-2H3,(H2,21,23);1H
InChIKeyNXNSCUZKMVYAJQ-UHFFFAOYSA-N
MW344.89 g/mol
LogP0.33
Rot. Bonds6

About hydron;9-[3-(propan-2-ylamino)propyl]fluorene-9-carboxamide;chloride

hydron;9-[3-(propan-2-ylamino)propyl]fluorene-9-carboxamide;chloride (PubChem CID 67108062) has the molecular formula C20H25ClN2O and a molecular weight of 344.89 g/mol. Its IUPAC name is hydron;9-[3-(propan-2-ylamino)propyl]fluorene-9-carboxamide;chloride.

Molecular Properties

Compound Namehydron;9-[3-(propan-2-ylamino)propyl]fluorene-9-carboxamide;chloride
PubChem CID67108062
Molecular FormulaC20H25ClN2O
Molecular Weight344.89 g/mol
Exact Mass344.17
IUPAC Namehydron;9-[3-(propan-2-ylamino)propyl]fluorene-9-carboxamide;chloride
SMILESCC(C)NCCCC1(C(N)=O)c2ccccc2-c2ccccc21.[Cl-].[H+]
InChIInChI=1S/C20H24N2O.ClH/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;/h3-6,8-11,14,22H,7,12-13H2,1-2H3,(H2,21,23);1H
InChIKeyNXNSCUZKMVYAJQ-UHFFFAOYSA-N
XLogP0.33
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.89
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydron;9-[3-(propan-2-ylamino)propyl]fluorene-9-carboxamide;chloride?
The IUPAC name of hydron;9-[3-(propan-2-ylamino)propyl]fluorene-9-carboxamide;chloride (CID 67108062) is hydron;9-[3-(propan-2-ylamino)propyl]fluorene-9-carboxamide;chloride.
What is the SMILES notation for hydron;9-[3-(propan-2-ylamino)propyl]fluorene-9-carboxamide;chloride?
The canonical SMILES for hydron;9-[3-(propan-2-ylamino)propyl]fluorene-9-carboxamide;chloride is CC(C)NCCCC1(C(N)=O)c2ccccc2-c2ccccc21.[Cl-].[H+].
What is the InChIKey of hydron;9-[3-(propan-2-ylamino)propyl]fluorene-9-carboxamide;chloride?
The InChIKey is NXNSCUZKMVYAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O.ClH/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;/h3-6,8-11,14,22H,7,12-13H2,1-2H3,(H2,21,23);1H.
What are the key properties of hydron;9-[3-(propan-2-ylamino)propyl]fluorene-9-carboxamide;chloride?
hydron;9-[3-(propan-2-ylamino)propyl]fluorene-9-carboxamide;chloride has a molecular weight of 344.89 g/mol, XLogP of 0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;9-[3-(propan-2-ylamino)propyl]fluorene-9-carboxamide;chloride is sourced from PubChem (CID 67108062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).