tert-butyl N-[[2-[2-(carbamoylamino)ethylamino]cyclopentyl]methyl]carbamate

C14H28N4O3 — CID 83112671

IUPACtert-butyl N-[[2-[2-(carbamoylamino)ethylamino]cyclopentyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCCC1NCCNC(N)=O
InChIInChI=1S/C14H28N4O3/c1-14(2,3)21-13(20)18-9-10-5-4-6-11(10)16-7-8-17-12(15)19/h10-11,16H,4-9H2,1-3H3,(H,18,20)(H3,15,17,19)
InChIKeyYDKHLYSCQRLFPS-UHFFFAOYSA-N
MW300.40 g/mol
LogP0.94
Rot. Bonds6

About tert-butyl N-[[2-[2-(carbamoylamino)ethylamino]cyclopentyl]methyl]carbamate

tert-butyl N-[[2-[2-(carbamoylamino)ethylamino]cyclopentyl]methyl]carbamate (PubChem CID 83112671) has the molecular formula C14H28N4O3 and a molecular weight of 300.40 g/mol. Its IUPAC name is tert-butyl N-[[2-[2-(carbamoylamino)ethylamino]cyclopentyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-[2-(carbamoylamino)ethylamino]cyclopentyl]methyl]carbamate
PubChem CID83112671
Molecular FormulaC14H28N4O3
Molecular Weight300.40 g/mol
Exact Mass300.22
IUPAC Nametert-butyl N-[[2-[2-(carbamoylamino)ethylamino]cyclopentyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCCC1NCCNC(N)=O
InChIInChI=1S/C14H28N4O3/c1-14(2,3)21-13(20)18-9-10-5-4-6-11(10)16-7-8-17-12(15)19/h10-11,16H,4-9H2,1-3H3,(H,18,20)(H3,15,17,19)
InChIKeyYDKHLYSCQRLFPS-UHFFFAOYSA-N
XLogP0.94
TPSA105.48 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 50.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[[2-[2-(tert-butylamino)ethylamino]cyclopentyl]methyl]carbamate
CID 107446348
tert-butyl N-[[2-[2-(tert-butylamino)ethylamino]cyclohexyl]methyl]carbamate
CID 107446347
tert-butyl N-[[2-[(2-methylcyclopropyl)methylamino]cyclopentyl]methyl]carbamate
CID 115970935
tert-butyl N-[[2-(cycloheptylmethylamino)cyclopentyl]methyl]carbamate
CID 107251493
tert-butyl N-[[2-[[3-(dimethylamino)-3-oxopropyl]amino]cyclopentyl]methyl]carbamate
CID 103695707
tert-butyl N-[[2-[(1-methylpiperidin-4-yl)methylamino]cyclopentyl]methyl]carbamate
CID 103695749
tert-butyl N-[[2-(2-methylprop-2-enylamino)cyclopentyl]methyl]carbamate
CID 114615598
tert-butyl N-[[2-[(2-hydroxycyclopentyl)methylamino]cyclohexyl]methyl]carbamate
CID 103695845
tert-butyl N-[[2-(2,2-difluoroethylamino)cyclopentyl]methyl]carbamate
CID 115406072
tert-butyl N-[[2-(3-methylsulfinylpropylamino)cyclopentyl]methyl]carbamate
CID 115972016
tert-butyl N-[[2-[2-(2-methylpropoxy)ethylamino]cyclopentyl]methyl]carbamate
CID 103947742
tert-butyl N-[[2-[(1-methylpyrrolidin-2-yl)methylamino]cyclopentyl]methyl]carbamate
CID 103947713

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-[2-(carbamoylamino)ethylamino]cyclopentyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-[2-(carbamoylamino)ethylamino]cyclopentyl]methyl]carbamate (CID 83112671) is tert-butyl N-[[2-[2-(carbamoylamino)ethylamino]cyclopentyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-[2-(carbamoylamino)ethylamino]cyclopentyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-[2-(carbamoylamino)ethylamino]cyclopentyl]methyl]carbamate is CC(C)(C)OC(=O)NCC1CCCC1NCCNC(N)=O.
What is the InChIKey of tert-butyl N-[[2-[2-(carbamoylamino)ethylamino]cyclopentyl]methyl]carbamate?
The InChIKey is YDKHLYSCQRLFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O3/c1-14(2,3)21-13(20)18-9-10-5-4-6-11(10)16-7-8-17-12(15)19/h10-11,16H,4-9H2,1-3H3,(H,18,20)(H3,15,17,19).
What are the key properties of tert-butyl N-[[2-[2-(carbamoylamino)ethylamino]cyclopentyl]methyl]carbamate?
tert-butyl N-[[2-[2-(carbamoylamino)ethylamino]cyclopentyl]methyl]carbamate has a molecular weight of 300.40 g/mol, XLogP of 0.94, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-[2-(carbamoylamino)ethylamino]cyclopentyl]methyl]carbamate is sourced from PubChem (CID 83112671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).