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

C17H34N2O3 — CID 103695723

IUPACtert-butyl N-[[2-(2-butoxyethylamino)cyclopentyl]methyl]carbamate
SMILESCCCCOCCNC1CCCC1CNC(=O)OC(C)(C)C
InChIInChI=1S/C17H34N2O3/c1-5-6-11-21-12-10-18-15-9-7-8-14(15)13-19-16(20)22-17(2,3)4/h14-15,18H,5-13H2,1-4H3,(H,19,20)
InChIKeyFJCXBJLSUKNIGR-UHFFFAOYSA-N
MW314.47 g/mol
LogP3.09
Rot. Bonds9

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

tert-butyl N-[[2-(2-butoxyethylamino)cyclopentyl]methyl]carbamate (PubChem CID 103695723) has the molecular formula C17H34N2O3 and a molecular weight of 314.47 g/mol. Its IUPAC name is tert-butyl N-[[2-(2-butoxyethylamino)cyclopentyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-(2-butoxyethylamino)cyclopentyl]methyl]carbamate
PubChem CID103695723
Molecular FormulaC17H34N2O3
Molecular Weight314.47 g/mol
Exact Mass314.26
IUPAC Nametert-butyl N-[[2-(2-butoxyethylamino)cyclopentyl]methyl]carbamate
SMILESCCCCOCCNC1CCCC1CNC(=O)OC(C)(C)C
InChIInChI=1S/C17H34N2O3/c1-5-6-11-21-12-10-18-15-9-7-8-14(15)13-19-16(20)22-17(2,3)4/h14-15,18H,5-13H2,1-4H3,(H,19,20)
InChIKeyFJCXBJLSUKNIGR-UHFFFAOYSA-N
XLogP3.09
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl N-[[2-(2-butoxyethylamino)cyclopentyl]methyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-butoxyethylamino)cyclopentyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-(2-butoxyethylamino)cyclopentyl]methyl]carbamate (CID 103695723) is tert-butyl N-[[2-(2-butoxyethylamino)cyclopentyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-(2-butoxyethylamino)cyclopentyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-(2-butoxyethylamino)cyclopentyl]methyl]carbamate is CCCCOCCNC1CCCC1CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[2-(2-butoxyethylamino)cyclopentyl]methyl]carbamate?
The InChIKey is FJCXBJLSUKNIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O3/c1-5-6-11-21-12-10-18-15-9-7-8-14(15)13-19-16(20)22-17(2,3)4/h14-15,18H,5-13H2,1-4H3,(H,19,20).
What are the key properties of tert-butyl N-[[2-(2-butoxyethylamino)cyclopentyl]methyl]carbamate?
tert-butyl N-[[2-(2-butoxyethylamino)cyclopentyl]methyl]carbamate has a molecular weight of 314.47 g/mol, XLogP of 3.09, 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-butoxyethylamino)cyclopentyl]methyl]carbamate is sourced from PubChem (CID 103695723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).