1-(2,3-dihydro-1H-inden-5-yl)-4-pyridin-4-ylbutan-2-amine

C18H22N2 — CID 105152473

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-4-pyridin-4-ylbutan-2-amine
SMILESNC(CCc1ccncc1)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C18H22N2/c19-18(7-5-14-8-10-20-11-9-14)13-15-4-6-16-2-1-3-17(16)12-15/h4,6,8-12,18H,1-3,5,7,13,19H2
InChIKeyHNAGPEBNYWMDLJ-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.07
Rot. Bonds5

About 1-(2,3-dihydro-1H-inden-5-yl)-4-pyridin-4-ylbutan-2-amine

1-(2,3-dihydro-1H-inden-5-yl)-4-pyridin-4-ylbutan-2-amine (PubChem CID 105152473) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-4-pyridin-4-ylbutan-2-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-4-pyridin-4-ylbutan-2-amine
PubChem CID105152473
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-4-pyridin-4-ylbutan-2-amine
SMILESNC(CCc1ccncc1)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C18H22N2/c19-18(7-5-14-8-10-20-11-9-14)13-15-4-6-16-2-1-3-17(16)12-15/h4,6,8-12,18H,1-3,5,7,13,19H2
InChIKeyHNAGPEBNYWMDLJ-UHFFFAOYSA-N
XLogP3.07
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1H-inden-5-yl)-5-methoxypentan-2-amine
CID 65092625
1-(3-fluoro-4-methoxyphenyl)-4-pyridin-4-ylbutan-2-amine
CID 105122524
1-cyclopentyl-3-(2,3-dihydro-1H-inden-5-yl)propan-2-amine
CID 115865018
3-amino-4-(2,3-dihydro-1H-inden-5-yl)butanoic acid
CID 82350821
1-(2,3-dihydro-1H-inden-5-yl)-3-ethylsulfanylpropan-2-amine
CID 65127704
1-pyridin-4-ylhexan-3-amine
CID 105080578
1-(2-methylphenyl)-4-pyridin-4-ylbutan-2-amine
CID 105092013
1-cyclohexyl-4-pyridin-4-ylbutan-2-amine
CID 105135881
6-(2-chloropropyl)-1,2,3,4-tetrahydronaphthalene
CID 82255501
3-pyridin-4-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 83956018
1-(2,3-dihydro-1H-inden-5-yl)-3-(1-methoxycyclobutyl)propan-2-amine
CID 103559393
2-(2,3-dihydro-1H-inden-5-yl)-1-(2,6-dimethyl-4-pyridinyl)ethanamine
CID 107503122

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-4-pyridin-4-ylbutan-2-amine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-4-pyridin-4-ylbutan-2-amine (CID 105152473) is 1-(2,3-dihydro-1H-inden-5-yl)-4-pyridin-4-ylbutan-2-amine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-4-pyridin-4-ylbutan-2-amine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-4-pyridin-4-ylbutan-2-amine is NC(CCc1ccncc1)Cc1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-4-pyridin-4-ylbutan-2-amine?
The InChIKey is HNAGPEBNYWMDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c19-18(7-5-14-8-10-20-11-9-14)13-15-4-6-16-2-1-3-17(16)12-15/h4,6,8-12,18H,1-3,5,7,13,19H2.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-4-pyridin-4-ylbutan-2-amine?
1-(2,3-dihydro-1H-inden-5-yl)-4-pyridin-4-ylbutan-2-amine has a molecular weight of 266.39 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-4-pyridin-4-ylbutan-2-amine is sourced from PubChem (CID 105152473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).