2-(aminomethyl)-1,2,3,4,9,9a-hexahydrofluoren-4a-amine;dihydrochloride

C14H22Cl2N2 — CID 19106985

IUPAC2-(aminomethyl)-1,2,3,4,9,9a-hexahydrofluoren-4a-amine;dihydrochloride
SMILESCl.Cl.NCC1CCC2(N)c3ccccc3CC2C1
InChIInChI=1S/C14H20N2.2ClH/c15-9-10-5-6-14(16)12(7-10)8-11-3-1-2-4-13(11)14;;/h1-4,10,12H,5-9,15-16H2;2*1H
InChIKeyGAJLNBYHJDFPAB-UHFFFAOYSA-N
MW289.25 g/mol
LogP2.62
Rot. Bonds1

About 2-(aminomethyl)-1,2,3,4,9,9a-hexahydrofluoren-4a-amine;dihydrochloride

2-(aminomethyl)-1,2,3,4,9,9a-hexahydrofluoren-4a-amine;dihydrochloride (PubChem CID 19106985) has the molecular formula C14H22Cl2N2 and a molecular weight of 289.25 g/mol. Its IUPAC name is 2-(aminomethyl)-1,2,3,4,9,9a-hexahydrofluoren-4a-amine;dihydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-1,2,3,4,9,9a-hexahydrofluoren-4a-amine;dihydrochloride
PubChem CID19106985
Molecular FormulaC14H22Cl2N2
Molecular Weight289.25 g/mol
Exact Mass288.12
IUPAC Name2-(aminomethyl)-1,2,3,4,9,9a-hexahydrofluoren-4a-amine;dihydrochloride
SMILESCl.Cl.NCC1CCC2(N)c3ccccc3CC2C1
InChIInChI=1S/C14H20N2.2ClH/c15-9-10-5-6-14(16)12(7-10)8-11-3-1-2-4-13(11)14;;/h1-4,10,12H,5-9,15-16H2;2*1H
InChIKeyGAJLNBYHJDFPAB-UHFFFAOYSA-N
XLogP2.62
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1,2,3,4,9,9a-hexahydrofluoren-4a-amine;dihydrochloride?
The IUPAC name of 2-(aminomethyl)-1,2,3,4,9,9a-hexahydrofluoren-4a-amine;dihydrochloride (CID 19106985) is 2-(aminomethyl)-1,2,3,4,9,9a-hexahydrofluoren-4a-amine;dihydrochloride.
What is the SMILES notation for 2-(aminomethyl)-1,2,3,4,9,9a-hexahydrofluoren-4a-amine;dihydrochloride?
The canonical SMILES for 2-(aminomethyl)-1,2,3,4,9,9a-hexahydrofluoren-4a-amine;dihydrochloride is Cl.Cl.NCC1CCC2(N)c3ccccc3CC2C1.
What is the InChIKey of 2-(aminomethyl)-1,2,3,4,9,9a-hexahydrofluoren-4a-amine;dihydrochloride?
The InChIKey is GAJLNBYHJDFPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2.2ClH/c15-9-10-5-6-14(16)12(7-10)8-11-3-1-2-4-13(11)14;;/h1-4,10,12H,5-9,15-16H2;2*1H.
What are the key properties of 2-(aminomethyl)-1,2,3,4,9,9a-hexahydrofluoren-4a-amine;dihydrochloride?
2-(aminomethyl)-1,2,3,4,9,9a-hexahydrofluoren-4a-amine;dihydrochloride has a molecular weight of 289.25 g/mol, XLogP of 2.62, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1,2,3,4,9,9a-hexahydrofluoren-4a-amine;dihydrochloride is sourced from PubChem (CID 19106985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).