tert-butyl N-[3-(2,3-dihydro-1H-inden-2-ylamino)cyclopentyl]carbamate

C19H28N2O2 — CID 107849928

IUPACtert-butyl N-[3-(2,3-dihydro-1H-inden-2-ylamino)cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(NC2Cc3ccccc3C2)C1
InChIInChI=1S/C19H28N2O2/c1-19(2,3)23-18(22)21-16-9-8-15(12-16)20-17-10-13-6-4-5-7-14(13)11-17/h4-7,15-17,20H,8-12H2,1-3H3,(H,21,22)
InChIKeyHKHSCOLVJRVWSF-UHFFFAOYSA-N
MW316.45 g/mol
LogP3.19
Rot. Bonds3

About tert-butyl N-[3-(2,3-dihydro-1H-inden-2-ylamino)cyclopentyl]carbamate

tert-butyl N-[3-(2,3-dihydro-1H-inden-2-ylamino)cyclopentyl]carbamate (PubChem CID 107849928) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is tert-butyl N-[3-(2,3-dihydro-1H-inden-2-ylamino)cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(2,3-dihydro-1H-inden-2-ylamino)cyclopentyl]carbamate
PubChem CID107849928
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC Nametert-butyl N-[3-(2,3-dihydro-1H-inden-2-ylamino)cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(NC2Cc3ccccc3C2)C1
InChIInChI=1S/C19H28N2O2/c1-19(2,3)23-18(22)21-16-9-8-15(12-16)20-17-10-13-6-4-5-7-14(13)11-17/h4-7,15-17,20H,8-12H2,1-3H3,(H,21,22)
InChIKeyHKHSCOLVJRVWSF-UHFFFAOYSA-N
XLogP3.19
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[4-(2,3-dihydro-1H-inden-2-ylamino)cyclohexyl]carbamate;ethane
CID 91059787
tert-butyl N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
CID 129371230
tert-butyl N-[3-(cyclobutylamino)cyclopentyl]carbamate
CID 79461260
tert-butyl N-[2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)cyclopropyl]carbamate
CID 107237938
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CID 79461407
tert-butyl N-[3-[(4-carbamoylcyclohexyl)amino]cyclopentyl]carbamate
CID 103719789
tert-butyl N-[3-[(4-ethylcyclohexyl)amino]cyclopentyl]carbamate
CID 103719843
tert-butyl N-[3-[(2-methoxyphenyl)methylamino]cyclopentyl]carbamate
CID 103719601
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[3-[(2-hydroxycyclohexyl)amino]cyclopentyl]carbamate
CID 79462086
tert-butyl N-[3-(2-propan-2-ylanilino)cyclopentyl]carbamate
CID 103719611
tert-butyl N-[3-[(2,2-dimethylcyclopropyl)amino]cyclopentyl]carbamate
CID 79462888

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(2,3-dihydro-1H-inden-2-ylamino)cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[3-(2,3-dihydro-1H-inden-2-ylamino)cyclopentyl]carbamate (CID 107849928) is tert-butyl N-[3-(2,3-dihydro-1H-inden-2-ylamino)cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(2,3-dihydro-1H-inden-2-ylamino)cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(2,3-dihydro-1H-inden-2-ylamino)cyclopentyl]carbamate is CC(C)(C)OC(=O)NC1CCC(NC2Cc3ccccc3C2)C1.
What is the InChIKey of tert-butyl N-[3-(2,3-dihydro-1H-inden-2-ylamino)cyclopentyl]carbamate?
The InChIKey is HKHSCOLVJRVWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-19(2,3)23-18(22)21-16-9-8-15(12-16)20-17-10-13-6-4-5-7-14(13)11-17/h4-7,15-17,20H,8-12H2,1-3H3,(H,21,22).
What are the key properties of tert-butyl N-[3-(2,3-dihydro-1H-inden-2-ylamino)cyclopentyl]carbamate?
tert-butyl N-[3-(2,3-dihydro-1H-inden-2-ylamino)cyclopentyl]carbamate has a molecular weight of 316.45 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(2,3-dihydro-1H-inden-2-ylamino)cyclopentyl]carbamate is sourced from PubChem (CID 107849928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).