N-(9H-fluoren-9-yl)-N',N'-dimethylethane-1,2-diamine;dihydrochloride

C17H22Cl2N2 — CID 45049608

IUPACN-(9H-fluoren-9-yl)-N',N'-dimethylethane-1,2-diamine;dihydrochloride
SMILESCN(C)CCNC1c2ccccc2-c2ccccc21.Cl.Cl
InChIInChI=1S/C17H20N2.2ClH/c1-19(2)12-11-18-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17;;/h3-10,17-18H,11-12H2,1-2H3;2*1H
InChIKeyLSBLPFULLJWBED-UHFFFAOYSA-N
MW325.28 g/mol
LogP3.75
Rot. Bonds4

About N-(9H-fluoren-9-yl)-N',N'-dimethylethane-1,2-diamine;dihydrochloride

N-(9H-fluoren-9-yl)-N',N'-dimethylethane-1,2-diamine;dihydrochloride (PubChem CID 45049608) has the molecular formula C17H22Cl2N2 and a molecular weight of 325.28 g/mol. Its IUPAC name is N-(9H-fluoren-9-yl)-N',N'-dimethylethane-1,2-diamine;dihydrochloride.

Molecular Properties

Compound NameN-(9H-fluoren-9-yl)-N',N'-dimethylethane-1,2-diamine;dihydrochloride
PubChem CID45049608
Molecular FormulaC17H22Cl2N2
Molecular Weight325.28 g/mol
Exact Mass324.12
IUPAC NameN-(9H-fluoren-9-yl)-N',N'-dimethylethane-1,2-diamine;dihydrochloride
SMILESCN(C)CCNC1c2ccccc2-c2ccccc21.Cl.Cl
InChIInChI=1S/C17H20N2.2ClH/c1-19(2)12-11-18-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17;;/h3-10,17-18H,11-12H2,1-2H3;2*1H
InChIKeyLSBLPFULLJWBED-UHFFFAOYSA-N
XLogP3.75
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.28
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(9H-fluoren-9-yl)-N',N'-dimethylethane-1,2-diamine;dihydrochloride?
The IUPAC name of N-(9H-fluoren-9-yl)-N',N'-dimethylethane-1,2-diamine;dihydrochloride (CID 45049608) is N-(9H-fluoren-9-yl)-N',N'-dimethylethane-1,2-diamine;dihydrochloride.
What is the SMILES notation for N-(9H-fluoren-9-yl)-N',N'-dimethylethane-1,2-diamine;dihydrochloride?
The canonical SMILES for N-(9H-fluoren-9-yl)-N',N'-dimethylethane-1,2-diamine;dihydrochloride is CN(C)CCNC1c2ccccc2-c2ccccc21.Cl.Cl.
What is the InChIKey of N-(9H-fluoren-9-yl)-N',N'-dimethylethane-1,2-diamine;dihydrochloride?
The InChIKey is LSBLPFULLJWBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2.2ClH/c1-19(2)12-11-18-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17;;/h3-10,17-18H,11-12H2,1-2H3;2*1H.
What are the key properties of N-(9H-fluoren-9-yl)-N',N'-dimethylethane-1,2-diamine;dihydrochloride?
N-(9H-fluoren-9-yl)-N',N'-dimethylethane-1,2-diamine;dihydrochloride has a molecular weight of 325.28 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9H-fluoren-9-yl)-N',N'-dimethylethane-1,2-diamine;dihydrochloride is sourced from PubChem (CID 45049608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).