N-[1-(9H-fluoren-2-yl)ethyl]-3,4,5,6,7,8-hexahydro-2H-azonin-9-amine;hydrochloride

C23H29ClN2 — CID 13012163

IUPACN-[1-(9H-fluoren-2-yl)ethyl]-3,4,5,6,7,8-hexahydro-2H-azonin-9-amine;hydrochloride
SMILESCC(N/C1=N/CCCCCCC1)c1ccc2c(c1)Cc1ccccc1-2.Cl
InChIInChI=1S/C23H28N2.ClH/c1-17(25-23-11-5-3-2-4-8-14-24-23)18-12-13-22-20(15-18)16-19-9-6-7-10-21(19)22;/h6-7,9-10,12-13,15,17H,2-5,8,11,14,16H2,1H3,(H,24,25);1H
InChIKeyOEYWLGULOPLCPO-UHFFFAOYSA-N
MW368.95 g/mol
LogP6.08
Rot. Bonds2

About N-[1-(9H-fluoren-2-yl)ethyl]-3,4,5,6,7,8-hexahydro-2H-azonin-9-amine;hydrochloride

N-[1-(9H-fluoren-2-yl)ethyl]-3,4,5,6,7,8-hexahydro-2H-azonin-9-amine;hydrochloride (PubChem CID 13012163) has the molecular formula C23H29ClN2 and a molecular weight of 368.95 g/mol. Its IUPAC name is N-[1-(9H-fluoren-2-yl)ethyl]-3,4,5,6,7,8-hexahydro-2H-azonin-9-amine;hydrochloride.

Molecular Properties

Compound NameN-[1-(9H-fluoren-2-yl)ethyl]-3,4,5,6,7,8-hexahydro-2H-azonin-9-amine;hydrochloride
PubChem CID13012163
Molecular FormulaC23H29ClN2
Molecular Weight368.95 g/mol
Exact Mass368.20
IUPAC NameN-[1-(9H-fluoren-2-yl)ethyl]-3,4,5,6,7,8-hexahydro-2H-azonin-9-amine;hydrochloride
SMILESCC(N/C1=N/CCCCCCC1)c1ccc2c(c1)Cc1ccccc1-2.Cl
InChIInChI=1S/C23H28N2.ClH/c1-17(25-23-11-5-3-2-4-8-14-24-23)18-12-13-22-20(15-18)16-19-9-6-7-10-21(19)22;/h6-7,9-10,12-13,15,17H,2-5,8,11,14,16H2,1H3,(H,24,25);1H
InChIKeyOEYWLGULOPLCPO-UHFFFAOYSA-N
XLogP6.08
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.95
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(9H-fluoren-2-yl)ethyl]-3,4,5,6,7,8-hexahydro-2H-azonin-9-amine;hydrochloride?
The IUPAC name of N-[1-(9H-fluoren-2-yl)ethyl]-3,4,5,6,7,8-hexahydro-2H-azonin-9-amine;hydrochloride (CID 13012163) is N-[1-(9H-fluoren-2-yl)ethyl]-3,4,5,6,7,8-hexahydro-2H-azonin-9-amine;hydrochloride.
What is the SMILES notation for N-[1-(9H-fluoren-2-yl)ethyl]-3,4,5,6,7,8-hexahydro-2H-azonin-9-amine;hydrochloride?
The canonical SMILES for N-[1-(9H-fluoren-2-yl)ethyl]-3,4,5,6,7,8-hexahydro-2H-azonin-9-amine;hydrochloride is CC(N/C1=N/CCCCCCC1)c1ccc2c(c1)Cc1ccccc1-2.Cl.
What is the InChIKey of N-[1-(9H-fluoren-2-yl)ethyl]-3,4,5,6,7,8-hexahydro-2H-azonin-9-amine;hydrochloride?
The InChIKey is OEYWLGULOPLCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2.ClH/c1-17(25-23-11-5-3-2-4-8-14-24-23)18-12-13-22-20(15-18)16-19-9-6-7-10-21(19)22;/h6-7,9-10,12-13,15,17H,2-5,8,11,14,16H2,1H3,(H,24,25);1H.
What are the key properties of N-[1-(9H-fluoren-2-yl)ethyl]-3,4,5,6,7,8-hexahydro-2H-azonin-9-amine;hydrochloride?
N-[1-(9H-fluoren-2-yl)ethyl]-3,4,5,6,7,8-hexahydro-2H-azonin-9-amine;hydrochloride has a molecular weight of 368.95 g/mol, XLogP of 6.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(9H-fluoren-2-yl)ethyl]-3,4,5,6,7,8-hexahydro-2H-azonin-9-amine;hydrochloride is sourced from PubChem (CID 13012163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).