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

C17H32N2O2 — CID 79461407

IUPACtert-butyl N-[3-(cycloheptylamino)cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(NC2CCCCCC2)C1
InChIInChI=1S/C17H32N2O2/c1-17(2,3)21-16(20)19-15-11-10-14(12-15)18-13-8-6-4-5-7-9-13/h13-15,18H,4-12H2,1-3H3,(H,19,20)
InChIKeyABUDOOOQOWMNMY-UHFFFAOYSA-N
MW296.45 g/mol
LogP3.74
Rot. Bonds3

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

tert-butyl N-[3-(cycloheptylamino)cyclopentyl]carbamate (PubChem CID 79461407) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is tert-butyl N-[3-(cycloheptylamino)cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(cycloheptylamino)cyclopentyl]carbamate
PubChem CID79461407
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Nametert-butyl N-[3-(cycloheptylamino)cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(NC2CCCCCC2)C1
InChIInChI=1S/C17H32N2O2/c1-17(2,3)21-16(20)19-15-11-10-14(12-15)18-13-8-6-4-5-7-9-13/h13-15,18H,4-12H2,1-3H3,(H,19,20)
InChIKeyABUDOOOQOWMNMY-UHFFFAOYSA-N
XLogP3.74
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-(cyclobutylamino)cyclopentyl]carbamate
CID 79461260
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[3-(oxan-4-ylamino)cyclohexyl]carbamate
CID 79462192
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-hydroxycyclohexyl)amino]cyclopentyl]carbamate
CID 79462086
tert-butyl N-[3-(cyclohexylmethylamino)cyclopentyl]carbamate
CID 79461727
tert-butyl N-[(1S,2S)-2-(cyclohexylamino)cyclohexyl]carbamate
CID 129409949
tert-butyl N-(4-aminocyclooctyl)carbamate
CID 147656644
tert-butyl N-[3-[(2,2-dimethylcyclopropyl)amino]cyclopentyl]carbamate
CID 79462888
tert-butyl N-[4-[(3-methoxycyclopentyl)amino]cyclohexyl]carbamate
CID 103082835
tert-butyl N-[3-[[(1S)-1-cyclohexylethyl]amino]cyclohexyl]carbamate
CID 103791676

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(cycloheptylamino)cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[3-(cycloheptylamino)cyclopentyl]carbamate (CID 79461407) is tert-butyl N-[3-(cycloheptylamino)cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(cycloheptylamino)cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(cycloheptylamino)cyclopentyl]carbamate is CC(C)(C)OC(=O)NC1CCC(NC2CCCCCC2)C1.
What is the InChIKey of tert-butyl N-[3-(cycloheptylamino)cyclopentyl]carbamate?
The InChIKey is ABUDOOOQOWMNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-17(2,3)21-16(20)19-15-11-10-14(12-15)18-13-8-6-4-5-7-9-13/h13-15,18H,4-12H2,1-3H3,(H,19,20).
What are the key properties of tert-butyl N-[3-(cycloheptylamino)cyclopentyl]carbamate?
tert-butyl N-[3-(cycloheptylamino)cyclopentyl]carbamate has a molecular weight of 296.45 g/mol, XLogP of 3.74, 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-(cycloheptylamino)cyclopentyl]carbamate is sourced from PubChem (CID 79461407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).