tert-butyl N-[[2-[[3-(dimethylamino)-3-oxopropyl]amino]cyclopentyl]methyl]carbamate

C16H31N3O3 — CID 103695707

IUPACtert-butyl N-[[2-[[3-(dimethylamino)-3-oxopropyl]amino]cyclopentyl]methyl]carbamate
SMILESCN(C)C(=O)CCNC1CCCC1CNC(=O)OC(C)(C)C
InChIInChI=1S/C16H31N3O3/c1-16(2,3)22-15(21)18-11-12-7-6-8-13(12)17-10-9-14(20)19(4)5/h12-13,17H,6-11H2,1-5H3,(H,18,21)
InChIKeyCATLXKUXFCUTDR-UHFFFAOYSA-N
MW313.44 g/mol
LogP1.75
Rot. Bonds6

About tert-butyl N-[[2-[[3-(dimethylamino)-3-oxopropyl]amino]cyclopentyl]methyl]carbamate

tert-butyl N-[[2-[[3-(dimethylamino)-3-oxopropyl]amino]cyclopentyl]methyl]carbamate (PubChem CID 103695707) has the molecular formula C16H31N3O3 and a molecular weight of 313.44 g/mol. Its IUPAC name is tert-butyl N-[[2-[[3-(dimethylamino)-3-oxopropyl]amino]cyclopentyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-[[3-(dimethylamino)-3-oxopropyl]amino]cyclopentyl]methyl]carbamate
PubChem CID103695707
Molecular FormulaC16H31N3O3
Molecular Weight313.44 g/mol
Exact Mass313.24
IUPAC Nametert-butyl N-[[2-[[3-(dimethylamino)-3-oxopropyl]amino]cyclopentyl]methyl]carbamate
SMILESCN(C)C(=O)CCNC1CCCC1CNC(=O)OC(C)(C)C
InChIInChI=1S/C16H31N3O3/c1-16(2,3)22-15(21)18-11-12-7-6-8-13(12)17-10-9-14(20)19(4)5/h12-13,17H,6-11H2,1-5H3,(H,18,21)
InChIKeyCATLXKUXFCUTDR-UHFFFAOYSA-N
XLogP1.75
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl N-[[2-[3-[methyl(propan-2-yl)amino]propylamino]cyclopentyl]methyl]carbamate
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tert-butyl N-[[2-[(2-methylcyclopropyl)methylamino]cyclopentyl]methyl]carbamate
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tert-butyl N-[[2-[2-(tert-butylamino)ethylamino]cyclohexyl]methyl]carbamate
CID 107446347
tert-butyl N-[[2-[[3-oxo-3-(propylamino)propyl]amino]cyclohexyl]methyl]carbamate
CID 113242209
tert-butyl N-[[2-[[1-(dimethylamino)cyclobutyl]methylamino]cyclopentyl]methyl]carbamate
CID 105415924
tert-butyl N-[[2-[(2-hydroxycyclopentyl)methylamino]cyclohexyl]methyl]carbamate
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tert-butyl N-[[2-(2-methylprop-2-enylamino)cyclopentyl]methyl]carbamate
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tert-butyl N-[[2-(2,2-difluoroethylamino)cyclopentyl]methyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-[[3-(dimethylamino)-3-oxopropyl]amino]cyclopentyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-[[3-(dimethylamino)-3-oxopropyl]amino]cyclopentyl]methyl]carbamate (CID 103695707) is tert-butyl N-[[2-[[3-(dimethylamino)-3-oxopropyl]amino]cyclopentyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-[[3-(dimethylamino)-3-oxopropyl]amino]cyclopentyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-[[3-(dimethylamino)-3-oxopropyl]amino]cyclopentyl]methyl]carbamate is CN(C)C(=O)CCNC1CCCC1CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[2-[[3-(dimethylamino)-3-oxopropyl]amino]cyclopentyl]methyl]carbamate?
The InChIKey is CATLXKUXFCUTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O3/c1-16(2,3)22-15(21)18-11-12-7-6-8-13(12)17-10-9-14(20)19(4)5/h12-13,17H,6-11H2,1-5H3,(H,18,21).
What are the key properties of tert-butyl N-[[2-[[3-(dimethylamino)-3-oxopropyl]amino]cyclopentyl]methyl]carbamate?
tert-butyl N-[[2-[[3-(dimethylamino)-3-oxopropyl]amino]cyclopentyl]methyl]carbamate has a molecular weight of 313.44 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-[[3-(dimethylamino)-3-oxopropyl]amino]cyclopentyl]methyl]carbamate is sourced from PubChem (CID 103695707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).