1-N,1-N,1-N',1-N'-tetraethyl-2-(9H-fluoren-1-yl)ethane-1,1-diamine;hydrochloride

C23H33ClN2 — CID 141106143

IUPAC1-N,1-N,1-N',1-N'-tetraethyl-2-(9H-fluoren-1-yl)ethane-1,1-diamine;hydrochloride
SMILESCCN(CC)C(Cc1cccc2c1Cc1ccccc1-2)N(CC)CC.Cl
InChIInChI=1S/C23H32N2.ClH/c1-5-24(6-2)23(25(7-3)8-4)17-19-13-11-15-21-20-14-10-9-12-18(20)16-22(19)21;/h9-15,23H,5-8,16-17H2,1-4H3;1H
InChIKeyQFZPYCAPEMTWKD-UHFFFAOYSA-N
MW372.98 g/mol
LogP5.23
Rot. Bonds8

About 1-N,1-N,1-N',1-N'-tetraethyl-2-(9H-fluoren-1-yl)ethane-1,1-diamine;hydrochloride

1-N,1-N,1-N',1-N'-tetraethyl-2-(9H-fluoren-1-yl)ethane-1,1-diamine;hydrochloride (PubChem CID 141106143) has the molecular formula C23H33ClN2 and a molecular weight of 372.98 g/mol. Its IUPAC name is 1-N,1-N,1-N',1-N'-tetraethyl-2-(9H-fluoren-1-yl)ethane-1,1-diamine;hydrochloride.

Molecular Properties

Compound Name1-N,1-N,1-N',1-N'-tetraethyl-2-(9H-fluoren-1-yl)ethane-1,1-diamine;hydrochloride
PubChem CID141106143
Molecular FormulaC23H33ClN2
Molecular Weight372.98 g/mol
Exact Mass372.23
IUPAC Name1-N,1-N,1-N',1-N'-tetraethyl-2-(9H-fluoren-1-yl)ethane-1,1-diamine;hydrochloride
SMILESCCN(CC)C(Cc1cccc2c1Cc1ccccc1-2)N(CC)CC.Cl
InChIInChI=1S/C23H32N2.ClH/c1-5-24(6-2)23(25(7-3)8-4)17-19-13-11-15-21-20-14-10-9-12-18(20)16-22(19)21;/h9-15,23H,5-8,16-17H2,1-4H3;1H
InChIKeyQFZPYCAPEMTWKD-UHFFFAOYSA-N
XLogP5.23
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.98
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-N,1-N,1-N',1-N'-tetraethyl-2-(9H-fluoren-1-yl)ethane-1,1-diamine;hydrochloride with MolForge

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Related Compounds

1-(2-methylpropyl)-9H-fluorene
CID 87557268
ethane;1-ethyl-9H-fluorene;propane
CID 167686584
1-(propan-2-yloxymethyl)-9H-fluorene
CID 58283334
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
bis(1-ethyl-9H-fluorene);pyridine
CID 158763322
1-(2,2,2-triphenylethyl)-9H-fluorene
CID 151369525
1-(9H-fluoren-1-ylmethoxy)-1,2,2-trimethylhydrazine
CID 163981163
S-ethyl 2-(9H-fluoren-1-yl)ethanethioate
CID 172829129
1-ethyl-9H-fluorene;prop-2-enoic acid
CID 175512160
2-(9H-fluoren-1-yl)acetamide
CID 22939017
1-[2-(ethyldisulfanyl)ethylsulfanylmethyl]-9H-fluorene
CID 150677961
9H-fluoren-1-ylmethyl 2-chlorohexanoate
CID 175075714

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,1-N',1-N'-tetraethyl-2-(9H-fluoren-1-yl)ethane-1,1-diamine;hydrochloride?
The IUPAC name of 1-N,1-N,1-N',1-N'-tetraethyl-2-(9H-fluoren-1-yl)ethane-1,1-diamine;hydrochloride (CID 141106143) is 1-N,1-N,1-N',1-N'-tetraethyl-2-(9H-fluoren-1-yl)ethane-1,1-diamine;hydrochloride.
What is the SMILES notation for 1-N,1-N,1-N',1-N'-tetraethyl-2-(9H-fluoren-1-yl)ethane-1,1-diamine;hydrochloride?
The canonical SMILES for 1-N,1-N,1-N',1-N'-tetraethyl-2-(9H-fluoren-1-yl)ethane-1,1-diamine;hydrochloride is CCN(CC)C(Cc1cccc2c1Cc1ccccc1-2)N(CC)CC.Cl.
What is the InChIKey of 1-N,1-N,1-N',1-N'-tetraethyl-2-(9H-fluoren-1-yl)ethane-1,1-diamine;hydrochloride?
The InChIKey is QFZPYCAPEMTWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2.ClH/c1-5-24(6-2)23(25(7-3)8-4)17-19-13-11-15-21-20-14-10-9-12-18(20)16-22(19)21;/h9-15,23H,5-8,16-17H2,1-4H3;1H.
What are the key properties of 1-N,1-N,1-N',1-N'-tetraethyl-2-(9H-fluoren-1-yl)ethane-1,1-diamine;hydrochloride?
1-N,1-N,1-N',1-N'-tetraethyl-2-(9H-fluoren-1-yl)ethane-1,1-diamine;hydrochloride has a molecular weight of 372.98 g/mol, XLogP of 5.23, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,1-N',1-N'-tetraethyl-2-(9H-fluoren-1-yl)ethane-1,1-diamine;hydrochloride is sourced from PubChem (CID 141106143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).