tert-butyl N-(2-methylnon-2-en-4-yl)carbamate

C15H29NO2 — CID 138984287

IUPACtert-butyl N-(2-methylnon-2-en-4-yl)carbamate
SMILESCCCCCC(C=C(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H29NO2/c1-7-8-9-10-13(11-12(2)3)16-14(17)18-15(4,5)6/h11,13H,7-10H2,1-6H3,(H,16,17)
InChIKeyZZWWSTHCRKADIK-UHFFFAOYSA-N
MW255.40 g/mol
LogP4.43
Rot. Bonds6

About tert-butyl N-(2-methylnon-2-en-4-yl)carbamate

tert-butyl N-(2-methylnon-2-en-4-yl)carbamate (PubChem CID 138984287) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is tert-butyl N-(2-methylnon-2-en-4-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-methylnon-2-en-4-yl)carbamate
PubChem CID138984287
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Nametert-butyl N-(2-methylnon-2-en-4-yl)carbamate
SMILESCCCCCC(C=C(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H29NO2/c1-7-8-9-10-13(11-12(2)3)16-14(17)18-15(4,5)6/h11,13H,7-10H2,1-6H3,(H,16,17)
InChIKeyZZWWSTHCRKADIK-UHFFFAOYSA-N
XLogP4.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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CID 25171533
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CID 151817419
tert-butyl N-(1-aminoundecyl)carbamate
CID 170534301
tert-butyl N-[(2S)-1-oxopentan-2-yl]carbamate
CID 10262225
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]octanoic acid
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tert-butyl N-[(2R)-1-hydroxyoctadecan-2-yl]carbamate
CID 101217988
tert-butyl N-[(2R,3S)-1,3-dihydroxydodecan-2-yl]carbamate
CID 138976837
tert-butyl N-[1-(heptan-2-ylamino)-1-oxopropan-2-yl]carbamate
CID 60730983
tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxopentan-2-yl]carbamate
CID 22961358
tert-butyl (7S)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxooctanoate
CID 145043689
[(5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexyl]carbamic acid
CID 118113449

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-methylnon-2-en-4-yl)carbamate?
The IUPAC name of tert-butyl N-(2-methylnon-2-en-4-yl)carbamate (CID 138984287) is tert-butyl N-(2-methylnon-2-en-4-yl)carbamate.
What is the SMILES notation for tert-butyl N-(2-methylnon-2-en-4-yl)carbamate?
The canonical SMILES for tert-butyl N-(2-methylnon-2-en-4-yl)carbamate is CCCCCC(C=C(C)C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-methylnon-2-en-4-yl)carbamate?
The InChIKey is ZZWWSTHCRKADIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-7-8-9-10-13(11-12(2)3)16-14(17)18-15(4,5)6/h11,13H,7-10H2,1-6H3,(H,16,17).
What are the key properties of tert-butyl N-(2-methylnon-2-en-4-yl)carbamate?
tert-butyl N-(2-methylnon-2-en-4-yl)carbamate has a molecular weight of 255.40 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-methylnon-2-en-4-yl)carbamate is sourced from PubChem (CID 138984287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).