tert-butyl N-[[2-(2-but-3-enoxyethylamino)cyclopentyl]methyl]carbamate

C17H32N2O3 — CID 103949466

IUPACtert-butyl N-[[2-(2-but-3-enoxyethylamino)cyclopentyl]methyl]carbamate
SMILESC=CCCOCCNC1CCCC1CNC(=O)OC(C)(C)C
InChIInChI=1S/C17H32N2O3/c1-5-6-11-21-12-10-18-15-9-7-8-14(15)13-19-16(20)22-17(2,3)4/h5,14-15,18H,1,6-13H2,2-4H3,(H,19,20)
InChIKeyPENWQOSSXPWWBJ-UHFFFAOYSA-N
MW312.45 g/mol
LogP2.86
Rot. Bonds9

About tert-butyl N-[[2-(2-but-3-enoxyethylamino)cyclopentyl]methyl]carbamate

tert-butyl N-[[2-(2-but-3-enoxyethylamino)cyclopentyl]methyl]carbamate (PubChem CID 103949466) has the molecular formula C17H32N2O3 and a molecular weight of 312.45 g/mol. Its IUPAC name is tert-butyl N-[[2-(2-but-3-enoxyethylamino)cyclopentyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-(2-but-3-enoxyethylamino)cyclopentyl]methyl]carbamate
PubChem CID103949466
Molecular FormulaC17H32N2O3
Molecular Weight312.45 g/mol
Exact Mass312.24
IUPAC Nametert-butyl N-[[2-(2-but-3-enoxyethylamino)cyclopentyl]methyl]carbamate
SMILESC=CCCOCCNC1CCCC1CNC(=O)OC(C)(C)C
InChIInChI=1S/C17H32N2O3/c1-5-6-11-21-12-10-18-15-9-7-8-14(15)13-19-16(20)22-17(2,3)4/h5,14-15,18H,1,6-13H2,2-4H3,(H,19,20)
InChIKeyPENWQOSSXPWWBJ-UHFFFAOYSA-N
XLogP2.86
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[[2-(1-ethoxypropan-2-ylamino)cyclopentyl]methyl]carbamate
CID 65832522
tert-butyl N-[[2-(1-methoxybutan-2-ylamino)cyclopentyl]methyl]carbamate
CID 65835146
tert-butyl N-[[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclopentyl]methyl]carbamate
CID 102613515
tert-butyl N-[[2-(2-butoxyethylamino)cyclopentyl]methyl]carbamate
CID 103695723
tert-butyl N-[[2-[2-(3-methylbutoxy)ethylamino]cyclopentyl]methyl]carbamate
CID 103695759
tert-butyl N-[[2-[(1-methoxy-3-methylbutan-2-yl)amino]cyclopentyl]methyl]carbamate
CID 103695828
tert-butyl N-[[2-(3-methoxybutan-2-ylamino)cyclopentyl]methyl]carbamate
CID 103786214
tert-butyl N-[[2-[2-(2-methylpropoxy)ethylamino]cyclopentyl]methyl]carbamate
CID 103947742
tert-butyl N-[4-(2-but-3-enoxyethylamino)cyclohexyl]carbamate
CID 103949209
tert-butyl N-[[2-[2-(2-methylprop-2-enoxy)ethylamino]cyclopentyl]methyl]carbamate
CID 103949409
tert-butyl N-[[2-(2-but-3-enoxyethylamino)cyclohexyl]methyl]carbamate
CID 103949463
Tert-butyl 3-[1-(2-but-3-enoxyethylamino)ethyl]piperidine-1-carboxylate
CID 103949464

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-(2-but-3-enoxyethylamino)cyclopentyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-(2-but-3-enoxyethylamino)cyclopentyl]methyl]carbamate (CID 103949466) is tert-butyl N-[[2-(2-but-3-enoxyethylamino)cyclopentyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-(2-but-3-enoxyethylamino)cyclopentyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-(2-but-3-enoxyethylamino)cyclopentyl]methyl]carbamate is C=CCCOCCNC1CCCC1CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[2-(2-but-3-enoxyethylamino)cyclopentyl]methyl]carbamate?
The InChIKey is PENWQOSSXPWWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O3/c1-5-6-11-21-12-10-18-15-9-7-8-14(15)13-19-16(20)22-17(2,3)4/h5,14-15,18H,1,6-13H2,2-4H3,(H,19,20).
What are the key properties of tert-butyl N-[[2-(2-but-3-enoxyethylamino)cyclopentyl]methyl]carbamate?
tert-butyl N-[[2-(2-but-3-enoxyethylamino)cyclopentyl]methyl]carbamate has a molecular weight of 312.45 g/mol, XLogP of 2.86, 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-but-3-enoxyethylamino)cyclopentyl]methyl]carbamate is sourced from PubChem (CID 103949466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).