1-(pentan-3-ylamino)-2,3-dihydro-1H-inden-4-ol

C14H21NO — CID 43636908

IUPAC1-(pentan-3-ylamino)-2,3-dihydro-1H-inden-4-ol
SMILESCCC(CC)NC1CCc2c(O)cccc21
InChIInChI=1S/C14H21NO/c1-3-10(4-2)15-13-9-8-12-11(13)6-5-7-14(12)16/h5-7,10,13,15-16H,3-4,8-9H2,1-2H3
InChIKeyTWYFQPXQGYKLOG-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.16
Rot. Bonds4

About 1-(pentan-3-ylamino)-2,3-dihydro-1H-inden-4-ol

1-(pentan-3-ylamino)-2,3-dihydro-1H-inden-4-ol (PubChem CID 43636908) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(pentan-3-ylamino)-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name1-(pentan-3-ylamino)-2,3-dihydro-1H-inden-4-ol
PubChem CID43636908
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-(pentan-3-ylamino)-2,3-dihydro-1H-inden-4-ol
SMILESCCC(CC)NC1CCc2c(O)cccc21
InChIInChI=1S/C14H21NO/c1-3-10(4-2)15-13-9-8-12-11(13)6-5-7-14(12)16/h5-7,10,13,15-16H,3-4,8-9H2,1-2H3
InChIKeyTWYFQPXQGYKLOG-UHFFFAOYSA-N
XLogP3.16
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-Naphthalenol, 5,6,7,8-tetrahydro-6-(propylamino)-
CID 10375676
5-Hydroxy-N-Propargyl-1(R)-Aminoindan
CID 5289289
(3R)-3-[methyl(prop-2-yn-1-yl)amino]-2,3-dihydro-1H-inden-5-ol hydrochloride
CID 9837092
1-[methyl(prop-2-yn-1-yl)amino]-2,3-dihydro-1H-inden-4-ol
CID 10125137
3-[methyl(prop-2-yn-1-yl)amino]-2,3-dihydro-1H-inden-4-ol
CID 10214459
1-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-4-ol
CID 10236056
(R)-3-Prop-2-ynylamino-indan-5-ol
CID 23644356
3-[methyl(prop-2-yn-1-yl)amino]-2,3-dihydro-1H-inden-5-ol hydrochloride
CID 23645321
2-(Dipropylamino)-2,3-dihydro-1H-inden-5-ol
CID 12728243
1H-Indeno(1,2-b)pyridin-7-ol, 2,3,4,4a,5,9b-hexahydro-5-(4-methylphenyl)-, (4a-alpha,5-alpha,9b-alpha)-
CID 55857
3-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-4-ol
CID 10285846
4-Hydroxy-2-(di-n-propylamino)indan
CID 146855

Frequently Asked Questions

What is the IUPAC name of 1-(pentan-3-ylamino)-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 1-(pentan-3-ylamino)-2,3-dihydro-1H-inden-4-ol (CID 43636908) is 1-(pentan-3-ylamino)-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 1-(pentan-3-ylamino)-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 1-(pentan-3-ylamino)-2,3-dihydro-1H-inden-4-ol is CCC(CC)NC1CCc2c(O)cccc21.
What is the InChIKey of 1-(pentan-3-ylamino)-2,3-dihydro-1H-inden-4-ol?
The InChIKey is TWYFQPXQGYKLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-10(4-2)15-13-9-8-12-11(13)6-5-7-14(12)16/h5-7,10,13,15-16H,3-4,8-9H2,1-2H3.
What are the key properties of 1-(pentan-3-ylamino)-2,3-dihydro-1H-inden-4-ol?
1-(pentan-3-ylamino)-2,3-dihydro-1H-inden-4-ol has a molecular weight of 219.33 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pentan-3-ylamino)-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 43636908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).