tert-butyl N-[2-(pent-4-en-2-ylamino)propyl]carbamate

C13H26N2O2 — CID 103390957

IUPACtert-butyl N-[2-(pent-4-en-2-ylamino)propyl]carbamate
SMILESC=CCC(C)NC(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C13H26N2O2/c1-7-8-10(2)15-11(3)9-14-12(16)17-13(4,5)6/h7,10-11,15H,1,8-9H2,2-6H3,(H,14,16)
InChIKeyIBEBVXFJSHGQNR-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.45
Rot. Bonds6

About tert-butyl N-[2-(pent-4-en-2-ylamino)propyl]carbamate

tert-butyl N-[2-(pent-4-en-2-ylamino)propyl]carbamate (PubChem CID 103390957) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is tert-butyl N-[2-(pent-4-en-2-ylamino)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(pent-4-en-2-ylamino)propyl]carbamate
PubChem CID103390957
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nametert-butyl N-[2-(pent-4-en-2-ylamino)propyl]carbamate
SMILESC=CCC(C)NC(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C13H26N2O2/c1-7-8-10(2)15-11(3)9-14-12(16)17-13(4,5)6/h7,10-11,15H,1,8-9H2,2-6H3,(H,14,16)
InChIKeyIBEBVXFJSHGQNR-UHFFFAOYSA-N
XLogP2.45
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-(propan-2-ylamino)propyl]carbamate
CID 103386965
tert-butyl N-[2-(4-hydroxypentan-2-ylamino)propyl]carbamate
CID 103390810
methyl (2R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pent-4-enoate
CID 100957165
tert-butyl N-[2-(4-methylsulfanylbutan-2-ylamino)propyl]carbamate
CID 103390979
tert-butyl N-[2-(1-ethoxyethylamino)propyl]carbamate
CID 167219816
tert-butyl N-[2-(heptan-4-ylamino)propyl]carbamate
CID 107248426
tert-butyl N-[2-(6,6,6-trifluorohexan-2-ylamino)propyl]carbamate
CID 107248523
tert-butyl N-[2-(2-but-3-enoxyethylamino)propyl]carbamate
CID 106396997
tert-butyl N-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]propyl]carbamate
CID 103389494
tert-butyl N-[2-[[(2S)-1-hydroxybutan-2-yl]amino]propyl]carbamate
CID 103391216
tert-butyl N-[(2S)-2-(ethylamino)propyl]carbamate
CID 59438683
tert-butyl N-[(2R)-3-hydroxy-2,3-dimethylbutyl]carbamate
CID 87400882

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(pent-4-en-2-ylamino)propyl]carbamate?
The IUPAC name of tert-butyl N-[2-(pent-4-en-2-ylamino)propyl]carbamate (CID 103390957) is tert-butyl N-[2-(pent-4-en-2-ylamino)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(pent-4-en-2-ylamino)propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(pent-4-en-2-ylamino)propyl]carbamate is C=CCC(C)NC(C)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(pent-4-en-2-ylamino)propyl]carbamate?
The InChIKey is IBEBVXFJSHGQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-7-8-10(2)15-11(3)9-14-12(16)17-13(4,5)6/h7,10-11,15H,1,8-9H2,2-6H3,(H,14,16).
What are the key properties of tert-butyl N-[2-(pent-4-en-2-ylamino)propyl]carbamate?
tert-butyl N-[2-(pent-4-en-2-ylamino)propyl]carbamate has a molecular weight of 242.36 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(pent-4-en-2-ylamino)propyl]carbamate is sourced from PubChem (CID 103390957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).