tert-butyl N-[3-[(2-hydroxycyclohexyl)amino]cyclopentyl]carbamate

C16H30N2O3 — CID 79462086

IUPACtert-butyl N-[3-[(2-hydroxycyclohexyl)amino]cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(NC2CCCCC2O)C1
InChIInChI=1S/C16H30N2O3/c1-16(2,3)21-15(20)18-12-9-8-11(10-12)17-13-6-4-5-7-14(13)19/h11-14,17,19H,4-10H2,1-3H3,(H,18,20)
InChIKeyAGSUIOJISVDIOQ-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.33
Rot. Bonds3

About tert-butyl N-[3-[(2-hydroxycyclohexyl)amino]cyclopentyl]carbamate

tert-butyl N-[3-[(2-hydroxycyclohexyl)amino]cyclopentyl]carbamate (PubChem CID 79462086) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is tert-butyl N-[3-[(2-hydroxycyclohexyl)amino]cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(2-hydroxycyclohexyl)amino]cyclopentyl]carbamate
PubChem CID79462086
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Nametert-butyl N-[3-[(2-hydroxycyclohexyl)amino]cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(NC2CCCCC2O)C1
InChIInChI=1S/C16H30N2O3/c1-16(2,3)21-15(20)18-12-9-8-11(10-12)17-13-6-4-5-7-14(13)19/h11-14,17,19H,4-10H2,1-3H3,(H,18,20)
InChIKeyAGSUIOJISVDIOQ-UHFFFAOYSA-N
XLogP2.33
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-(cycloheptylamino)cyclopentyl]carbamate
CID 79461407
tert-butyl N-[(1S,2S)-2-hydroxycyclohexyl]carbamate
CID 10013520
tert-butyl N-[3-(cyclobutylamino)cyclopentyl]carbamate
CID 79461260
tert-butyl N-[3-[(2-methylcyclohexyl)amino]cyclobutyl]carbamate
CID 80559219
tert-butyl N-[(1S)-2-hydroxycyclopentyl]carbamate
CID 58845331
tert-butyl N-[(1S,2R)-2-hydroxycyclopentyl]carbamate
CID 51416200
tert-butyl N-[(1S,3S)-3-hydroxycyclopentyl]carbamate;tert-butyl N-[(1R,3R)-3-hydroxycyclopentyl]carbamate
CID 86222893
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[3-[(2-propan-2-ylcyclohexyl)amino]cyclobutyl]carbamate
CID 103857635
tert-butyl N-[(1R,3R)-3-hydroxy-4-methylcyclohexyl]carbamate
CID 118263190
tert-butyl N-[(1R,4S)-3-hydroxy-4-methylcyclohexyl]carbamate
CID 118263188
tert-butyl N-[(1S,2S)-2-(cyclohexylamino)cyclohexyl]carbamate
CID 129409949

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(2-hydroxycyclohexyl)amino]cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(2-hydroxycyclohexyl)amino]cyclopentyl]carbamate (CID 79462086) is tert-butyl N-[3-[(2-hydroxycyclohexyl)amino]cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(2-hydroxycyclohexyl)amino]cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(2-hydroxycyclohexyl)amino]cyclopentyl]carbamate is CC(C)(C)OC(=O)NC1CCC(NC2CCCCC2O)C1.
What is the InChIKey of tert-butyl N-[3-[(2-hydroxycyclohexyl)amino]cyclopentyl]carbamate?
The InChIKey is AGSUIOJISVDIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-16(2,3)21-15(20)18-12-9-8-11(10-12)17-13-6-4-5-7-14(13)19/h11-14,17,19H,4-10H2,1-3H3,(H,18,20).
What are the key properties of tert-butyl N-[3-[(2-hydroxycyclohexyl)amino]cyclopentyl]carbamate?
tert-butyl N-[3-[(2-hydroxycyclohexyl)amino]cyclopentyl]carbamate has a molecular weight of 298.43 g/mol, XLogP of 2.33, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(2-hydroxycyclohexyl)amino]cyclopentyl]carbamate is sourced from PubChem (CID 79462086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).