N-[cyclopropyl(thiophen-2-yl)methyl]-2,3-dihydro-1H-inden-5-amine

C17H19NS — CID 54983465

IUPACN-[cyclopropyl(thiophen-2-yl)methyl]-2,3-dihydro-1H-inden-5-amine
SMILESc1csc(C(Nc2ccc3c(c2)CCC3)C2CC2)c1
InChIInChI=1S/C17H19NS/c1-3-12-8-9-15(11-14(12)4-1)18-17(13-6-7-13)16-5-2-10-19-16/h2,5,8-11,13,17-18H,1,3-4,6-7H2
InChIKeyKYJGDIHCFBDXJF-UHFFFAOYSA-N
MW269.41 g/mol
LogP4.80
Rot. Bonds4

About N-[cyclopropyl(thiophen-2-yl)methyl]-2,3-dihydro-1H-inden-5-amine

N-[cyclopropyl(thiophen-2-yl)methyl]-2,3-dihydro-1H-inden-5-amine (PubChem CID 54983465) has the molecular formula C17H19NS and a molecular weight of 269.41 g/mol. Its IUPAC name is N-[cyclopropyl(thiophen-2-yl)methyl]-2,3-dihydro-1H-inden-5-amine.

Molecular Properties

Compound NameN-[cyclopropyl(thiophen-2-yl)methyl]-2,3-dihydro-1H-inden-5-amine
PubChem CID54983465
Molecular FormulaC17H19NS
Molecular Weight269.41 g/mol
Exact Mass269.12
IUPAC NameN-[cyclopropyl(thiophen-2-yl)methyl]-2,3-dihydro-1H-inden-5-amine
SMILESc1csc(C(Nc2ccc3c(c2)CCC3)C2CC2)c1
InChIInChI=1S/C17H19NS/c1-3-12-8-9-15(11-14(12)4-1)18-17(13-6-7-13)16-5-2-10-19-16/h2,5,8-11,13,17-18H,1,3-4,6-7H2
InChIKeyKYJGDIHCFBDXJF-UHFFFAOYSA-N
XLogP4.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclopropyl(thiophen-2-yl)methyl]-4-fluoro-3-methylaniline
CID 62810181
N-[cyclopropyl(thiophen-2-yl)methyl]-3,4,5-trifluoroaniline
CID 62809644
N-[cyclopentyl(thiophen-2-yl)methyl]-4-methylaniline
CID 43765836
N-[cyclopropyl(thiophen-2-yl)methyl]-3-fluoro-5-methylaniline
CID 79055355
2-[4-[[cyclopropyl(thiophen-2-yl)methyl]amino]phenyl]ethanol
CID 54982811
N-[cyclopentyl(thiophen-2-yl)methyl]-3-fluoro-4-methoxyaniline
CID 43775939
N-[cyclopentyl(thiophen-2-yl)methyl]-3-ethynylaniline
CID 43755560
N-[cyclopropyl(thiophen-2-yl)methyl]-2,4,5-trifluoroaniline
CID 55118586
N-[cyclopropyl(thiophen-2-yl)methyl]propan-2-amine
CID 60713978
N-[(R)-cyclopropyl(thiophen-2-yl)methyl]cyclobutanamine
CID 51921587
2,6-dibromo-N-[cyclopropyl(thiophen-2-yl)methyl]aniline
CID 107597366
5-[[cyclopentyl(thiophen-2-yl)methyl]amino]-1-methylpyridin-2-one
CID 60930788

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(thiophen-2-yl)methyl]-2,3-dihydro-1H-inden-5-amine?
The IUPAC name of N-[cyclopropyl(thiophen-2-yl)methyl]-2,3-dihydro-1H-inden-5-amine (CID 54983465) is N-[cyclopropyl(thiophen-2-yl)methyl]-2,3-dihydro-1H-inden-5-amine.
What is the SMILES notation for N-[cyclopropyl(thiophen-2-yl)methyl]-2,3-dihydro-1H-inden-5-amine?
The canonical SMILES for N-[cyclopropyl(thiophen-2-yl)methyl]-2,3-dihydro-1H-inden-5-amine is c1csc(C(Nc2ccc3c(c2)CCC3)C2CC2)c1.
What is the InChIKey of N-[cyclopropyl(thiophen-2-yl)methyl]-2,3-dihydro-1H-inden-5-amine?
The InChIKey is KYJGDIHCFBDXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NS/c1-3-12-8-9-15(11-14(12)4-1)18-17(13-6-7-13)16-5-2-10-19-16/h2,5,8-11,13,17-18H,1,3-4,6-7H2.
What are the key properties of N-[cyclopropyl(thiophen-2-yl)methyl]-2,3-dihydro-1H-inden-5-amine?
N-[cyclopropyl(thiophen-2-yl)methyl]-2,3-dihydro-1H-inden-5-amine has a molecular weight of 269.41 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(thiophen-2-yl)methyl]-2,3-dihydro-1H-inden-5-amine is sourced from PubChem (CID 54983465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).