butyl N-[but-3-enyl(2-methylprop-2-enyl)amino]carbamate

C13H24N2O2 — CID 87952044

IUPACbutyl N-[but-3-enyl(2-methylprop-2-enyl)amino]carbamate
SMILESC=CCCN(CC(=C)C)NC(=O)OCCCC
InChIInChI=1S/C13H24N2O2/c1-5-7-9-15(11-12(3)4)14-13(16)17-10-8-6-2/h5H,1,3,6-11H2,2,4H3,(H,14,16)
InChIKeyWAJUBBPYBNKMTC-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.88
Rot. Bonds9

About butyl N-[but-3-enyl(2-methylprop-2-enyl)amino]carbamate

butyl N-[but-3-enyl(2-methylprop-2-enyl)amino]carbamate (PubChem CID 87952044) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is butyl N-[but-3-enyl(2-methylprop-2-enyl)amino]carbamate.

Molecular Properties

Compound Namebutyl N-[but-3-enyl(2-methylprop-2-enyl)amino]carbamate
PubChem CID87952044
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Namebutyl N-[but-3-enyl(2-methylprop-2-enyl)amino]carbamate
SMILESC=CCCN(CC(=C)C)NC(=O)OCCCC
InChIInChI=1S/C13H24N2O2/c1-5-7-9-15(11-12(3)4)14-13(16)17-10-8-6-2/h5H,1,3,6-11H2,2,4H3,(H,14,16)
InChIKeyWAJUBBPYBNKMTC-UHFFFAOYSA-N
XLogP2.88
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,1-dibutoxy-3-ethenylurea
CID 160800511
butyl acetate;N-prop-2-enylprop-2-en-1-amine
CID 175248136
butyl N-butoxycarbonyl-N-(butoxycarbonylamino)carbamate
CID 141225317
butyl N-[(1E)-buta-1,3-dienyl]carbamate
CID 89306450
heptyl N-prop-2-enylcarbamate
CID 123482137
butyl N-(butoxycarbonylamino)-N-[2-(hydroxymethyl)prop-2-enyl]carbamate
CID 155341223
but-3-enyl N-methylcarbamate;hept-1-ene
CID 157391424
undec-10-enyl 2-(butoxycarbonylamino)propanoate
CID 6423167
buta-1,3-diene;butyl hydrogen carbonate
CID 87173183
but-3-enyl pentadecyl carbonate
CID 91692457
butyl N-[methyl-bis(sulfanyl)-λ4-sulfanyl]sulfonylcarbamate
CID 166897347
butyl carbamate;prop-2-enamide
CID 174431220

Frequently Asked Questions

What is the IUPAC name of butyl N-[but-3-enyl(2-methylprop-2-enyl)amino]carbamate?
The IUPAC name of butyl N-[but-3-enyl(2-methylprop-2-enyl)amino]carbamate (CID 87952044) is butyl N-[but-3-enyl(2-methylprop-2-enyl)amino]carbamate.
What is the SMILES notation for butyl N-[but-3-enyl(2-methylprop-2-enyl)amino]carbamate?
The canonical SMILES for butyl N-[but-3-enyl(2-methylprop-2-enyl)amino]carbamate is C=CCCN(CC(=C)C)NC(=O)OCCCC.
What is the InChIKey of butyl N-[but-3-enyl(2-methylprop-2-enyl)amino]carbamate?
The InChIKey is WAJUBBPYBNKMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-5-7-9-15(11-12(3)4)14-13(16)17-10-8-6-2/h5H,1,3,6-11H2,2,4H3,(H,14,16).
What are the key properties of butyl N-[but-3-enyl(2-methylprop-2-enyl)amino]carbamate?
butyl N-[but-3-enyl(2-methylprop-2-enyl)amino]carbamate has a molecular weight of 240.35 g/mol, XLogP of 2.88, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-[but-3-enyl(2-methylprop-2-enyl)amino]carbamate is sourced from PubChem (CID 87952044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).