tert-butyl N-[3-(cyclohexylmethylamino)cyclopentyl]carbamate

C17H32N2O2 — CID 79461727

IUPACtert-butyl N-[3-(cyclohexylmethylamino)cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(NCC2CCCCC2)C1
InChIInChI=1S/C17H32N2O2/c1-17(2,3)21-16(20)19-15-10-9-14(11-15)18-12-13-7-5-4-6-8-13/h13-15,18H,4-12H2,1-3H3,(H,19,20)
InChIKeyBDWMAOOWHXHUSC-UHFFFAOYSA-N
MW296.45 g/mol
LogP3.60
Rot. Bonds4

About tert-butyl N-[3-(cyclohexylmethylamino)cyclopentyl]carbamate

tert-butyl N-[3-(cyclohexylmethylamino)cyclopentyl]carbamate (PubChem CID 79461727) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is tert-butyl N-[3-(cyclohexylmethylamino)cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(cyclohexylmethylamino)cyclopentyl]carbamate
PubChem CID79461727
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Nametert-butyl N-[3-(cyclohexylmethylamino)cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(NCC2CCCCC2)C1
InChIInChI=1S/C17H32N2O2/c1-17(2,3)21-16(20)19-15-10-9-14(11-15)18-12-13-7-5-4-6-8-13/h13-15,18H,4-12H2,1-3H3,(H,19,20)
InChIKeyBDWMAOOWHXHUSC-UHFFFAOYSA-N
XLogP3.60
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]cyclopentyl]carbamate
CID 103719960
tert-butyl N-[3-[(3-hydroxycyclopentyl)methylamino]cyclohexyl]carbamate
CID 106120887
tert-butyl N-[3-(cycloheptylamino)cyclopentyl]carbamate
CID 79461407
tert-butyl N-[3-(thiolan-2-ylmethylamino)cyclopentyl]carbamate
CID 80584361
tert-butyl N-[(3R)-3-(2,2,2-trifluoroethylamino)cyclopentyl]carbamate;molecular hydrogen
CID 158239331
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[(1S,3R)-3-(ethylamino)cyclohexyl]carbamate
CID 72544342
2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]amino]acetic acid
CID 79461532
tert-butyl N-[4-(piperidin-3-ylmethylamino)cyclohexyl]carbamate
CID 107241698
tert-butyl N-[(1S,3R)-3-(hydroxymethyl)cyclohexyl]carbamate
CID 83823767
tert-butyl N-[2-(cyclopropylmethylamino)cycloheptyl]carbamate
CID 103082520
tert-butyl N-[3-(pentylamino)cyclopentyl]carbamate
CID 79462575

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(cyclohexylmethylamino)cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[3-(cyclohexylmethylamino)cyclopentyl]carbamate (CID 79461727) is tert-butyl N-[3-(cyclohexylmethylamino)cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(cyclohexylmethylamino)cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(cyclohexylmethylamino)cyclopentyl]carbamate is CC(C)(C)OC(=O)NC1CCC(NCC2CCCCC2)C1.
What is the InChIKey of tert-butyl N-[3-(cyclohexylmethylamino)cyclopentyl]carbamate?
The InChIKey is BDWMAOOWHXHUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-17(2,3)21-16(20)19-15-10-9-14(11-15)18-12-13-7-5-4-6-8-13/h13-15,18H,4-12H2,1-3H3,(H,19,20).
What are the key properties of tert-butyl N-[3-(cyclohexylmethylamino)cyclopentyl]carbamate?
tert-butyl N-[3-(cyclohexylmethylamino)cyclopentyl]carbamate has a molecular weight of 296.45 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(cyclohexylmethylamino)cyclopentyl]carbamate is sourced from PubChem (CID 79461727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).