tert-butyl N-[4-(2,3-dihydro-1H-inden-2-ylamino)cyclohexyl]carbamate;ethane

C22H36N2O2 — CID 91059787

IUPACtert-butyl N-[4-(2,3-dihydro-1H-inden-2-ylamino)cyclohexyl]carbamate;ethane
SMILESCC.CC(C)(C)OC(=O)NC1CCC(NC2Cc3ccccc3C2)CC1
InChIInChI=1S/C20H30N2O2.C2H6/c1-20(2,3)24-19(23)22-17-10-8-16(9-11-17)21-18-12-14-6-4-5-7-15(14)13-18;1-2/h4-7,16-18,21H,8-13H2,1-3H3,(H,22,23);1-2H3
InChIKeyAVNONYSIBVQMHI-UHFFFAOYSA-N
MW360.54 g/mol
LogP4.61
Rot. Bonds3

About tert-butyl N-[4-(2,3-dihydro-1H-inden-2-ylamino)cyclohexyl]carbamate;ethane

tert-butyl N-[4-(2,3-dihydro-1H-inden-2-ylamino)cyclohexyl]carbamate;ethane (PubChem CID 91059787) has the molecular formula C22H36N2O2 and a molecular weight of 360.54 g/mol. Its IUPAC name is tert-butyl N-[4-(2,3-dihydro-1H-inden-2-ylamino)cyclohexyl]carbamate;ethane.

Molecular Properties

Compound Nametert-butyl N-[4-(2,3-dihydro-1H-inden-2-ylamino)cyclohexyl]carbamate;ethane
PubChem CID91059787
Molecular FormulaC22H36N2O2
Molecular Weight360.54 g/mol
Exact Mass360.28
IUPAC Nametert-butyl N-[4-(2,3-dihydro-1H-inden-2-ylamino)cyclohexyl]carbamate;ethane
SMILESCC.CC(C)(C)OC(=O)NC1CCC(NC2Cc3ccccc3C2)CC1
InChIInChI=1S/C20H30N2O2.C2H6/c1-20(2,3)24-19(23)22-17-10-8-16(9-11-17)21-18-12-14-6-4-5-7-15(14)13-18;1-2/h4-7,16-18,21H,8-13H2,1-3H3,(H,22,23);1-2H3
InChIKeyAVNONYSIBVQMHI-UHFFFAOYSA-N
XLogP4.61
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.54
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[4-(2,3-dihydro-1H-inden-2-ylamino)cyclohexyl]carbamate;ethane with MolForge

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Related Compounds

N-[(N''-Indan-2-yl-N''-propyl)-4-aminobutyl]methylcarboxamide
CID 52937773
tert-butyl N-[9-[[1-(2-phenylethyl)piperidin-4-yl]amino]nonyl]carbamate
CID 53318204
tert-butyl N-[7-[[1-(2-phenylethyl)piperidin-4-yl]amino]heptyl]carbamate
CID 53319561
tert-butyl N-[6-[[1-(2-phenylethyl)piperidin-4-yl]amino]hexyl]carbamate
CID 53320856
tert-butyl N-[12-[[1-(2-phenylethyl)piperidin-4-yl]amino]dodecyl]carbamate
CID 53324837
tert-butyl N-[8-[[1-(2-phenylethyl)piperidin-4-yl]amino]octyl]carbamate
CID 53326110
tert-butyl N-[5-[[1-(2-phenylethyl)piperidin-4-yl]amino]pentyl]carbamate
CID 53320210
tert-butyl N-[3-[[1-(2-phenylethyl)piperidin-4-yl]amino]propyl]carbamate
CID 53321313
tert-butyl N-[4-[[1-(2-phenylethyl)piperidin-4-yl]amino]butyl]carbamate
CID 53323968
tert-butyl ((1R,2R)-2-amino-2,3-dihydro-1H-inden-1-yl)carbamate
CID 11299644
tert-butyl N-((1S,2S)-2-amino-2,3-dihydro-1H-inden-1-yl)carbamate
CID 50999060
tert-Butyl (5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-inden-2-yl)carbamate
CID 89682200

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(2,3-dihydro-1H-inden-2-ylamino)cyclohexyl]carbamate;ethane?
The IUPAC name of tert-butyl N-[4-(2,3-dihydro-1H-inden-2-ylamino)cyclohexyl]carbamate;ethane (CID 91059787) is tert-butyl N-[4-(2,3-dihydro-1H-inden-2-ylamino)cyclohexyl]carbamate;ethane.
What is the SMILES notation for tert-butyl N-[4-(2,3-dihydro-1H-inden-2-ylamino)cyclohexyl]carbamate;ethane?
The canonical SMILES for tert-butyl N-[4-(2,3-dihydro-1H-inden-2-ylamino)cyclohexyl]carbamate;ethane is CC.CC(C)(C)OC(=O)NC1CCC(NC2Cc3ccccc3C2)CC1.
What is the InChIKey of tert-butyl N-[4-(2,3-dihydro-1H-inden-2-ylamino)cyclohexyl]carbamate;ethane?
The InChIKey is AVNONYSIBVQMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2.C2H6/c1-20(2,3)24-19(23)22-17-10-8-16(9-11-17)21-18-12-14-6-4-5-7-15(14)13-18;1-2/h4-7,16-18,21H,8-13H2,1-3H3,(H,22,23);1-2H3.
What are the key properties of tert-butyl N-[4-(2,3-dihydro-1H-inden-2-ylamino)cyclohexyl]carbamate;ethane?
tert-butyl N-[4-(2,3-dihydro-1H-inden-2-ylamino)cyclohexyl]carbamate;ethane has a molecular weight of 360.54 g/mol, XLogP of 4.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(2,3-dihydro-1H-inden-2-ylamino)cyclohexyl]carbamate;ethane is sourced from PubChem (CID 91059787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).