N'-(2-aminoethyl)-N'-[2-(9H-fluoren-2-ylmethylamino)ethyl]ethane-1,2-diamine;trihydrochloride

C20H31Cl3N4 — CID 155522156

IUPACN'-(2-aminoethyl)-N'-[2-(9H-fluoren-2-ylmethylamino)ethyl]ethane-1,2-diamine;trihydrochloride
SMILESCl.Cl.Cl.NCCN(CCN)CCNCc1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C20H28N4.3ClH/c21-7-10-24(11-8-22)12-9-23-15-16-5-6-20-18(13-16)14-17-3-1-2-4-19(17)20;;;/h1-6,13,23H,7-12,14-15,21-22H2;3*1H
InChIKeyVIHLGFGSGAURCD-UHFFFAOYSA-N
MW433.86 g/mol
LogP2.83
Rot. Bonds9

About N'-(2-aminoethyl)-N'-[2-(9H-fluoren-2-ylmethylamino)ethyl]ethane-1,2-diamine;trihydrochloride

N'-(2-aminoethyl)-N'-[2-(9H-fluoren-2-ylmethylamino)ethyl]ethane-1,2-diamine;trihydrochloride (PubChem CID 155522156) has the molecular formula C20H31Cl3N4 and a molecular weight of 433.86 g/mol. Its IUPAC name is N'-(2-aminoethyl)-N'-[2-(9H-fluoren-2-ylmethylamino)ethyl]ethane-1,2-diamine;trihydrochloride.

Molecular Properties

Compound NameN'-(2-aminoethyl)-N'-[2-(9H-fluoren-2-ylmethylamino)ethyl]ethane-1,2-diamine;trihydrochloride
PubChem CID155522156
Molecular FormulaC20H31Cl3N4
Molecular Weight433.86 g/mol
Exact Mass432.16
IUPAC NameN'-(2-aminoethyl)-N'-[2-(9H-fluoren-2-ylmethylamino)ethyl]ethane-1,2-diamine;trihydrochloride
SMILESCl.Cl.Cl.NCCN(CCN)CCNCc1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C20H28N4.3ClH/c21-7-10-24(11-8-22)12-9-23-15-16-5-6-20-18(13-16)14-17-3-1-2-4-19(17)20;;;/h1-6,13,23H,7-12,14-15,21-22H2;3*1H
InChIKeyVIHLGFGSGAURCD-UHFFFAOYSA-N
XLogP2.83
TPSA67.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.86
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 N'-(2-aminoethyl)-N'-[2-(9H-fluoren-2-ylmethylamino)ethyl]ethane-1,2-diamine;trihydrochloride?
The IUPAC name of N'-(2-aminoethyl)-N'-[2-(9H-fluoren-2-ylmethylamino)ethyl]ethane-1,2-diamine;trihydrochloride (CID 155522156) is N'-(2-aminoethyl)-N'-[2-(9H-fluoren-2-ylmethylamino)ethyl]ethane-1,2-diamine;trihydrochloride.
What is the SMILES notation for N'-(2-aminoethyl)-N'-[2-(9H-fluoren-2-ylmethylamino)ethyl]ethane-1,2-diamine;trihydrochloride?
The canonical SMILES for N'-(2-aminoethyl)-N'-[2-(9H-fluoren-2-ylmethylamino)ethyl]ethane-1,2-diamine;trihydrochloride is Cl.Cl.Cl.NCCN(CCN)CCNCc1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of N'-(2-aminoethyl)-N'-[2-(9H-fluoren-2-ylmethylamino)ethyl]ethane-1,2-diamine;trihydrochloride?
The InChIKey is VIHLGFGSGAURCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4.3ClH/c21-7-10-24(11-8-22)12-9-23-15-16-5-6-20-18(13-16)14-17-3-1-2-4-19(17)20;;;/h1-6,13,23H,7-12,14-15,21-22H2;3*1H.
What are the key properties of N'-(2-aminoethyl)-N'-[2-(9H-fluoren-2-ylmethylamino)ethyl]ethane-1,2-diamine;trihydrochloride?
N'-(2-aminoethyl)-N'-[2-(9H-fluoren-2-ylmethylamino)ethyl]ethane-1,2-diamine;trihydrochloride has a molecular weight of 433.86 g/mol, XLogP of 2.83, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-aminoethyl)-N'-[2-(9H-fluoren-2-ylmethylamino)ethyl]ethane-1,2-diamine;trihydrochloride is sourced from PubChem (CID 155522156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).