N-[(1R)-1-pyridin-3-ylethyl]-2,3-dihydro-1H-inden-1-amine

C16H18N2 — CID 81407153

IUPACN-[(1R)-1-pyridin-3-ylethyl]-2,3-dihydro-1H-inden-1-amine
SMILESC[C@@H](NC1CCc2ccccc21)c1cccnc1
InChIInChI=1S/C16H18N2/c1-12(14-6-4-10-17-11-14)18-16-9-8-13-5-2-3-7-15(13)16/h2-7,10-12,16,18H,8-9H2,1H3/t12-,16?/m1/s1
InChIKeyOYXPWMOWZKYZHB-ZGTOLYCTSA-N
MW238.33 g/mol
LogP3.42
Rot. Bonds3

About N-[(1R)-1-pyridin-3-ylethyl]-2,3-dihydro-1H-inden-1-amine

N-[(1R)-1-pyridin-3-ylethyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 81407153) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-[(1R)-1-pyridin-3-ylethyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-pyridin-3-ylethyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID81407153
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC NameN-[(1R)-1-pyridin-3-ylethyl]-2,3-dihydro-1H-inden-1-amine
SMILESC[C@@H](NC1CCc2ccccc21)c1cccnc1
InChIInChI=1S/C16H18N2/c1-12(14-6-4-10-17-11-14)18-16-9-8-13-5-2-3-7-15(13)16/h2-7,10-12,16,18H,8-9H2,1H3/t12-,16?/m1/s1
InChIKeyOYXPWMOWZKYZHB-ZGTOLYCTSA-N
XLogP3.42
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-pyridin-3-ylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81406890
N-[(1R)-1-pyridin-4-ylethyl]-2,3-dihydro-1H-inden-1-amine
CID 81405488
N-[(1S)-1-pyridin-3-ylethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102774076
N-[1-(3-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 43768440
N-[(1S)-1-pyridin-3-ylethyl]cyclopropanamine
CID 26385082
N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 78956142
N-[(1S)-1-pyridin-3-ylethyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 81406455
N-[(1R)-1-pyridin-3-ylethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 81405087
N-[1-(3,4-difluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 43204034
2-[1-(2,3-dihydro-1H-inden-1-ylamino)ethyl]phenol
CID 43204004
N-[(1S)-1-pyridin-3-ylethyl]cycloheptanamine
CID 28646604
N-(1-pyridin-3-ylethyl)cyclododecanamine
CID 43079395

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-pyridin-3-ylethyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-[(1R)-1-pyridin-3-ylethyl]-2,3-dihydro-1H-inden-1-amine (CID 81407153) is N-[(1R)-1-pyridin-3-ylethyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-[(1R)-1-pyridin-3-ylethyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-[(1R)-1-pyridin-3-ylethyl]-2,3-dihydro-1H-inden-1-amine is C[C@@H](NC1CCc2ccccc21)c1cccnc1.
What is the InChIKey of N-[(1R)-1-pyridin-3-ylethyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is OYXPWMOWZKYZHB-ZGTOLYCTSA-N. The full InChI is InChI=1S/C16H18N2/c1-12(14-6-4-10-17-11-14)18-16-9-8-13-5-2-3-7-15(13)16/h2-7,10-12,16,18H,8-9H2,1H3/t12-,16?/m1/s1.
What are the key properties of N-[(1R)-1-pyridin-3-ylethyl]-2,3-dihydro-1H-inden-1-amine?
N-[(1R)-1-pyridin-3-ylethyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 238.33 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-pyridin-3-ylethyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 81407153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).