N-benzyl-1,2,3,5,6,7-hexahydro-s-indacen-1-amine

C19H21N — CID 3058658

IUPACN-benzyl-1,2,3,5,6,7-hexahydro-s-indacen-1-amine
SMILESc1ccc(CNC2CCc3cc4c(cc32)CCC4)cc1
InChIInChI=1S/C19H21N/c1-2-5-14(6-3-1)13-20-19-10-9-17-11-15-7-4-8-16(15)12-18(17)19/h1-3,5-6,11-12,19-20H,4,7-10,13H2
InChIKeyFESWGEJFFDCCPM-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.95
Rot. Bonds3

About N-benzyl-1,2,3,5,6,7-hexahydro-s-indacen-1-amine

N-benzyl-1,2,3,5,6,7-hexahydro-s-indacen-1-amine (PubChem CID 3058658) has the molecular formula C19H21N and a molecular weight of 263.38 g/mol. Its IUPAC name is N-benzyl-1,2,3,5,6,7-hexahydro-s-indacen-1-amine.

Molecular Properties

Compound NameN-benzyl-1,2,3,5,6,7-hexahydro-s-indacen-1-amine
PubChem CID3058658
Molecular FormulaC19H21N
Molecular Weight263.38 g/mol
Exact Mass263.17
IUPAC NameN-benzyl-1,2,3,5,6,7-hexahydro-s-indacen-1-amine
SMILESc1ccc(CNC2CCc3cc4c(cc32)CCC4)cc1
InChIInChI=1S/C19H21N/c1-2-5-14(6-3-1)13-20-19-10-9-17-11-15-7-4-8-16(15)12-18(17)19/h1-3,5-6,11-12,19-20H,4,7-10,13H2
InChIKeyFESWGEJFFDCCPM-UHFFFAOYSA-N
XLogP3.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1,2,3,5,6,7-hexahydro-s-indacen-1-amine?
The IUPAC name of N-benzyl-1,2,3,5,6,7-hexahydro-s-indacen-1-amine (CID 3058658) is N-benzyl-1,2,3,5,6,7-hexahydro-s-indacen-1-amine.
What is the SMILES notation for N-benzyl-1,2,3,5,6,7-hexahydro-s-indacen-1-amine?
The canonical SMILES for N-benzyl-1,2,3,5,6,7-hexahydro-s-indacen-1-amine is c1ccc(CNC2CCc3cc4c(cc32)CCC4)cc1.
What is the InChIKey of N-benzyl-1,2,3,5,6,7-hexahydro-s-indacen-1-amine?
The InChIKey is FESWGEJFFDCCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N/c1-2-5-14(6-3-1)13-20-19-10-9-17-11-15-7-4-8-16(15)12-18(17)19/h1-3,5-6,11-12,19-20H,4,7-10,13H2.
What are the key properties of N-benzyl-1,2,3,5,6,7-hexahydro-s-indacen-1-amine?
N-benzyl-1,2,3,5,6,7-hexahydro-s-indacen-1-amine has a molecular weight of 263.38 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1,2,3,5,6,7-hexahydro-s-indacen-1-amine is sourced from PubChem (CID 3058658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).