N-ethyl-1,2,3,5,6,7-hexahydro-s-indacen-1-amine;hydrochloride

C14H20ClN — CID 3058677

IUPACN-ethyl-1,2,3,5,6,7-hexahydro-s-indacen-1-amine;hydrochloride
SMILESCCNC1CCc2cc3c(cc21)CCC3.Cl
InChIInChI=1S/C14H19N.ClH/c1-2-15-14-7-6-12-8-10-4-3-5-11(10)9-13(12)14;/h8-9,14-15H,2-7H2,1H3;1H
InChIKeyPUUIAARVFVGILC-UHFFFAOYSA-N
MW237.77 g/mol
LogP3.19
Rot. Bonds2

About N-ethyl-1,2,3,5,6,7-hexahydro-s-indacen-1-amine;hydrochloride

N-ethyl-1,2,3,5,6,7-hexahydro-s-indacen-1-amine;hydrochloride (PubChem CID 3058677) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is N-ethyl-1,2,3,5,6,7-hexahydro-s-indacen-1-amine;hydrochloride.

Molecular Properties

Compound NameN-ethyl-1,2,3,5,6,7-hexahydro-s-indacen-1-amine;hydrochloride
PubChem CID3058677
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC NameN-ethyl-1,2,3,5,6,7-hexahydro-s-indacen-1-amine;hydrochloride
SMILESCCNC1CCc2cc3c(cc21)CCC3.Cl
InChIInChI=1S/C14H19N.ClH/c1-2-15-14-7-6-12-8-10-4-3-5-11(10)9-13(12)14;/h8-9,14-15H,2-7H2,1H3;1H
InChIKeyPUUIAARVFVGILC-UHFFFAOYSA-N
XLogP3.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,2,3,5,6,7-hexahydro-s-indacen-1-amine;hydrochloride?
The IUPAC name of N-ethyl-1,2,3,5,6,7-hexahydro-s-indacen-1-amine;hydrochloride (CID 3058677) is N-ethyl-1,2,3,5,6,7-hexahydro-s-indacen-1-amine;hydrochloride.
What is the SMILES notation for N-ethyl-1,2,3,5,6,7-hexahydro-s-indacen-1-amine;hydrochloride?
The canonical SMILES for N-ethyl-1,2,3,5,6,7-hexahydro-s-indacen-1-amine;hydrochloride is CCNC1CCc2cc3c(cc21)CCC3.Cl.
What is the InChIKey of N-ethyl-1,2,3,5,6,7-hexahydro-s-indacen-1-amine;hydrochloride?
The InChIKey is PUUIAARVFVGILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N.ClH/c1-2-15-14-7-6-12-8-10-4-3-5-11(10)9-13(12)14;/h8-9,14-15H,2-7H2,1H3;1H.
What are the key properties of N-ethyl-1,2,3,5,6,7-hexahydro-s-indacen-1-amine;hydrochloride?
N-ethyl-1,2,3,5,6,7-hexahydro-s-indacen-1-amine;hydrochloride has a molecular weight of 237.77 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,2,3,5,6,7-hexahydro-s-indacen-1-amine;hydrochloride is sourced from PubChem (CID 3058677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).