tert-butyl N-[[2-(hex-5-en-2-ylamino)cyclopentyl]methyl]carbamate

C17H32N2O2 — CID 104582718

IUPACtert-butyl N-[[2-(hex-5-en-2-ylamino)cyclopentyl]methyl]carbamate
SMILESC=CCCC(C)NC1CCCC1CNC(=O)OC(C)(C)C
InChIInChI=1S/C17H32N2O2/c1-6-7-9-13(2)19-15-11-8-10-14(15)12-18-16(20)21-17(3,4)5/h6,13-15,19H,1,7-12H2,2-5H3,(H,18,20)
InChIKeyBDHDWRSEJDJSOH-UHFFFAOYSA-N
MW296.46 g/mol
LogP3.62
Rot. Bonds7

About tert-butyl N-[[2-(hex-5-en-2-ylamino)cyclopentyl]methyl]carbamate

tert-butyl N-[[2-(hex-5-en-2-ylamino)cyclopentyl]methyl]carbamate (PubChem CID 104582718) has the molecular formula C17H32N2O2 and a molecular weight of 296.46 g/mol. Its IUPAC name is tert-butyl N-[[2-(hex-5-en-2-ylamino)cyclopentyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-(hex-5-en-2-ylamino)cyclopentyl]methyl]carbamate
PubChem CID104582718
Molecular FormulaC17H32N2O2
Molecular Weight296.46 g/mol
Exact Mass296.25
IUPAC Nametert-butyl N-[[2-(hex-5-en-2-ylamino)cyclopentyl]methyl]carbamate
SMILESC=CCCC(C)NC1CCCC1CNC(=O)OC(C)(C)C
InChIInChI=1S/C17H32N2O2/c1-6-7-9-13(2)19-15-11-8-10-14(15)12-18-16(20)21-17(3,4)5/h6,13-15,19H,1,7-12H2,2-5H3,(H,18,20)
InChIKeyBDHDWRSEJDJSOH-UHFFFAOYSA-N
XLogP3.62
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-(hex-5-en-2-ylamino)cyclopentyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-(hex-5-en-2-ylamino)cyclopentyl]methyl]carbamate (CID 104582718) is tert-butyl N-[[2-(hex-5-en-2-ylamino)cyclopentyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-(hex-5-en-2-ylamino)cyclopentyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-(hex-5-en-2-ylamino)cyclopentyl]methyl]carbamate is C=CCCC(C)NC1CCCC1CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[2-(hex-5-en-2-ylamino)cyclopentyl]methyl]carbamate?
The InChIKey is BDHDWRSEJDJSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-6-7-9-13(2)19-15-11-8-10-14(15)12-18-16(20)21-17(3,4)5/h6,13-15,19H,1,7-12H2,2-5H3,(H,18,20).
What are the key properties of tert-butyl N-[[2-(hex-5-en-2-ylamino)cyclopentyl]methyl]carbamate?
tert-butyl N-[[2-(hex-5-en-2-ylamino)cyclopentyl]methyl]carbamate has a molecular weight of 296.46 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-(hex-5-en-2-ylamino)cyclopentyl]methyl]carbamate is sourced from PubChem (CID 104582718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).