tert-butyl N-[[2-(1-methoxypentan-2-ylamino)cyclopentyl]methyl]carbamate

C17H34N2O3 — CID 103695809

IUPACtert-butyl N-[[2-(1-methoxypentan-2-ylamino)cyclopentyl]methyl]carbamate
SMILESCCCC(COC)NC1CCCC1CNC(=O)OC(C)(C)C
InChIInChI=1S/C17H34N2O3/c1-6-8-14(12-21-5)19-15-10-7-9-13(15)11-18-16(20)22-17(2,3)4/h13-15,19H,6-12H2,1-5H3,(H,18,20)
InChIKeyXIFOYYFMQQJCBV-UHFFFAOYSA-N
MW314.47 g/mol
LogP3.08
Rot. Bonds8

About tert-butyl N-[[2-(1-methoxypentan-2-ylamino)cyclopentyl]methyl]carbamate

tert-butyl N-[[2-(1-methoxypentan-2-ylamino)cyclopentyl]methyl]carbamate (PubChem CID 103695809) has the molecular formula C17H34N2O3 and a molecular weight of 314.47 g/mol. Its IUPAC name is tert-butyl N-[[2-(1-methoxypentan-2-ylamino)cyclopentyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-(1-methoxypentan-2-ylamino)cyclopentyl]methyl]carbamate
PubChem CID103695809
Molecular FormulaC17H34N2O3
Molecular Weight314.47 g/mol
Exact Mass314.26
IUPAC Nametert-butyl N-[[2-(1-methoxypentan-2-ylamino)cyclopentyl]methyl]carbamate
SMILESCCCC(COC)NC1CCCC1CNC(=O)OC(C)(C)C
InChIInChI=1S/C17H34N2O3/c1-6-8-14(12-21-5)19-15-10-7-9-13(15)11-18-16(20)22-17(2,3)4/h13-15,19H,6-12H2,1-5H3,(H,18,20)
InChIKeyXIFOYYFMQQJCBV-UHFFFAOYSA-N
XLogP3.08
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-(1-methoxypentan-2-ylamino)cyclopentyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-(1-methoxypentan-2-ylamino)cyclopentyl]methyl]carbamate (CID 103695809) is tert-butyl N-[[2-(1-methoxypentan-2-ylamino)cyclopentyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-(1-methoxypentan-2-ylamino)cyclopentyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-(1-methoxypentan-2-ylamino)cyclopentyl]methyl]carbamate is CCCC(COC)NC1CCCC1CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[2-(1-methoxypentan-2-ylamino)cyclopentyl]methyl]carbamate?
The InChIKey is XIFOYYFMQQJCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O3/c1-6-8-14(12-21-5)19-15-10-7-9-13(15)11-18-16(20)22-17(2,3)4/h13-15,19H,6-12H2,1-5H3,(H,18,20).
What are the key properties of tert-butyl N-[[2-(1-methoxypentan-2-ylamino)cyclopentyl]methyl]carbamate?
tert-butyl N-[[2-(1-methoxypentan-2-ylamino)cyclopentyl]methyl]carbamate has a molecular weight of 314.47 g/mol, XLogP of 3.08, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-(1-methoxypentan-2-ylamino)cyclopentyl]methyl]carbamate is sourced from PubChem (CID 103695809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).