tert-butyl N-[3-(pent-4-ynylamino)propyl]carbamate

C13H24N2O2 — CID 107095077

IUPACtert-butyl N-[3-(pent-4-ynylamino)propyl]carbamate
SMILESC#CCCCNCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C13H24N2O2/c1-5-6-7-9-14-10-8-11-15-12(16)17-13(2,3)4/h1,14H,6-11H2,2-4H3,(H,15,16)
InChIKeyUWFIMBKHDYGIPJ-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.90
Rot. Bonds7

About tert-butyl N-[3-(pent-4-ynylamino)propyl]carbamate

tert-butyl N-[3-(pent-4-ynylamino)propyl]carbamate (PubChem CID 107095077) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is tert-butyl N-[3-(pent-4-ynylamino)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(pent-4-ynylamino)propyl]carbamate
PubChem CID107095077
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Nametert-butyl N-[3-(pent-4-ynylamino)propyl]carbamate
SMILESC#CCCCNCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C13H24N2O2/c1-5-6-7-9-14-10-8-11-15-12(16)17-13(2,3)4/h1,14H,6-11H2,2-4H3,(H,15,16)
InChIKeyUWFIMBKHDYGIPJ-UHFFFAOYSA-N
XLogP1.90
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]propyl]carbamate
CID 10404463
tert-butyl N-[6-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylamino]hexyl]carbamate
CID 15570048
tert-butyl N-[3-[3-(tert-butylamino)propylamino]propyl]carbamate
CID 139566779
CID 58849446
CID 58849446
tert-butyl N-[3-(decylamino)propyl]carbamate
CID 103821957
tert-butyl N-[4-(propylamino)butyl]carbamate
CID 86071285
methyl N-hex-5-ynylcarbamate
CID 103758218
tert-butyl N-[3-(2-methylsulfinylethylamino)propyl]carbamate
CID 115747869
tert-butyl N-[3-[3-[4-[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propylamino]butylamino]propylamino]-3-oxopropyl]carbamate
CID 10875262
2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]acetic acid
CID 5074020
tert-butyl N-[3-(6-oxohexylamino)propyl]carbamate
CID 142525218
tert-butyl N-[3-[3-(butanoylamino)propylamino]propyl]carbamate
CID 163381103

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(pent-4-ynylamino)propyl]carbamate?
The IUPAC name of tert-butyl N-[3-(pent-4-ynylamino)propyl]carbamate (CID 107095077) is tert-butyl N-[3-(pent-4-ynylamino)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(pent-4-ynylamino)propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(pent-4-ynylamino)propyl]carbamate is C#CCCCNCCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-(pent-4-ynylamino)propyl]carbamate?
The InChIKey is UWFIMBKHDYGIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-5-6-7-9-14-10-8-11-15-12(16)17-13(2,3)4/h1,14H,6-11H2,2-4H3,(H,15,16).
What are the key properties of tert-butyl N-[3-(pent-4-ynylamino)propyl]carbamate?
tert-butyl N-[3-(pent-4-ynylamino)propyl]carbamate has a molecular weight of 240.35 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(pent-4-ynylamino)propyl]carbamate is sourced from PubChem (CID 107095077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).