tert-butyl N-[[2-[2-(3-methylbutoxy)ethylamino]cyclopentyl]methyl]carbamate

C18H36N2O3 — CID 103695759

IUPACtert-butyl N-[[2-[2-(3-methylbutoxy)ethylamino]cyclopentyl]methyl]carbamate
SMILESCC(C)CCOCCNC1CCCC1CNC(=O)OC(C)(C)C
InChIInChI=1S/C18H36N2O3/c1-14(2)9-11-22-12-10-19-16-8-6-7-15(16)13-20-17(21)23-18(3,4)5/h14-16,19H,6-13H2,1-5H3,(H,20,21)
InChIKeyKIRLKICMSNXUBF-UHFFFAOYSA-N
MW328.50 g/mol
LogP3.33
Rot. Bonds9

About tert-butyl N-[[2-[2-(3-methylbutoxy)ethylamino]cyclopentyl]methyl]carbamate

tert-butyl N-[[2-[2-(3-methylbutoxy)ethylamino]cyclopentyl]methyl]carbamate (PubChem CID 103695759) has the molecular formula C18H36N2O3 and a molecular weight of 328.50 g/mol. Its IUPAC name is tert-butyl N-[[2-[2-(3-methylbutoxy)ethylamino]cyclopentyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-[2-(3-methylbutoxy)ethylamino]cyclopentyl]methyl]carbamate
PubChem CID103695759
Molecular FormulaC18H36N2O3
Molecular Weight328.50 g/mol
Exact Mass328.27
IUPAC Nametert-butyl N-[[2-[2-(3-methylbutoxy)ethylamino]cyclopentyl]methyl]carbamate
SMILESCC(C)CCOCCNC1CCCC1CNC(=O)OC(C)(C)C
InChIInChI=1S/C18H36N2O3/c1-14(2)9-11-22-12-10-19-16-8-6-7-15(16)13-20-17(21)23-18(3,4)5/h14-16,19H,6-13H2,1-5H3,(H,20,21)
InChIKeyKIRLKICMSNXUBF-UHFFFAOYSA-N
XLogP3.33
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 53.33
H-Bond Donors ≤ 52
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-[1-(oxan-4-yl)ethylamino]cyclopentyl]methyl]carbamate
CID 84589299
tert-butyl N-[[2-[2-(2,2-difluoroethoxy)ethylamino]cyclopentyl]methyl]carbamate
CID 103082598
tert-butyl N-[[2-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclopentyl]methyl]carbamate
CID 103695799
tert-butyl (1R,3S)-3-(morpholinomethyl)cyclopentylcarbamate
CID 18453496
tert-butyl N-[(1S,2S)-2-[(2-methylpropylamino)methyl]cyclopentyl]carbamate
CID 66596586
tert-butyl N-[3-(morpholin-4-ylmethyl)cyclopentyl]carbamate
CID 70803965
[(2R)-3-methyl-2-(propan-2-ylamino)butyl] N-[6-(propan-2-ylamino)hexyl]carbamate
CID 88871213
[(2R)-3-methyl-2-(propan-2-ylamino)butyl] N-[6-(methylamino)hexyl]carbamate
CID 89760626
[(2R)-3-methyl-2-(methylamino)butyl] N-[6-(propan-2-ylamino)hexyl]carbamate
CID 89760645
[(2R)-2-(ethylamino)-3-methylbutyl] N-[6-(ethylamino)hexyl]carbamate
CID 117652210
tert-butyl N-[4-[(cyclopentylamino)methyl]oxan-3-yl]carbamate
CID 123168654
tert-butyl N-[(1S,2S)-2-[2-(2-methylpropylamino)ethyl]cyclopentyl]carbamate
CID 126542469

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-[2-(3-methylbutoxy)ethylamino]cyclopentyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-[2-(3-methylbutoxy)ethylamino]cyclopentyl]methyl]carbamate (CID 103695759) is tert-butyl N-[[2-[2-(3-methylbutoxy)ethylamino]cyclopentyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-[2-(3-methylbutoxy)ethylamino]cyclopentyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-[2-(3-methylbutoxy)ethylamino]cyclopentyl]methyl]carbamate is CC(C)CCOCCNC1CCCC1CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[2-[2-(3-methylbutoxy)ethylamino]cyclopentyl]methyl]carbamate?
The InChIKey is KIRLKICMSNXUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O3/c1-14(2)9-11-22-12-10-19-16-8-6-7-15(16)13-20-17(21)23-18(3,4)5/h14-16,19H,6-13H2,1-5H3,(H,20,21).
What are the key properties of tert-butyl N-[[2-[2-(3-methylbutoxy)ethylamino]cyclopentyl]methyl]carbamate?
tert-butyl N-[[2-[2-(3-methylbutoxy)ethylamino]cyclopentyl]methyl]carbamate has a molecular weight of 328.50 g/mol, XLogP of 3.33, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-[2-(3-methylbutoxy)ethylamino]cyclopentyl]methyl]carbamate is sourced from PubChem (CID 103695759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).