tert-butyl N-(4-methylnonan-4-yl)carbamate

C15H31NO2 — CID 130223651

IUPACtert-butyl N-(4-methylnonan-4-yl)carbamate
SMILESCCCCCC(C)(CCC)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H31NO2/c1-7-9-10-12-15(6,11-8-2)16-13(17)18-14(3,4)5/h7-12H2,1-6H3,(H,16,17)
InChIKeyRVYFNOLYWJYKTP-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.65
Rot. Bonds7

About tert-butyl N-(4-methylnonan-4-yl)carbamate

tert-butyl N-(4-methylnonan-4-yl)carbamate (PubChem CID 130223651) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is tert-butyl N-(4-methylnonan-4-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-methylnonan-4-yl)carbamate
PubChem CID130223651
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Nametert-butyl N-(4-methylnonan-4-yl)carbamate
SMILESCCCCCC(C)(CCC)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H31NO2/c1-7-9-10-12-15(6,11-8-2)16-13(17)18-14(3,4)5/h7-12H2,1-6H3,(H,16,17)
InChIKeyRVYFNOLYWJYKTP-UHFFFAOYSA-N
XLogP4.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(1-amino-3-methylhexan-3-yl)carbamate
CID 151269852
tert-butyl N-[(2R)-1-amino-2-methylpentan-2-yl]carbamate
CID 129411644
(2R)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoic acid
CID 148575187
2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-propylpentanoic acid
CID 2762257
(2S)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 39870673
tert-butyl N-[(2S)-2-methyl-1-oxohexan-2-yl]carbamate
CID 122599124
methyl 2-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 88646273
tert-butyl N-pentylcarbamate;bis(pentane)
CID 171066640
tert-butyl N-[1-(heptylamino)-2-methylpropan-2-yl]carbamate
CID 107250019
[(2R)-1-hydroxy-2-methylheptan-2-yl]carbamic acid
CID 122585214
tert-butyl N-nonylcarbamate;ethane
CID 168941348
(1-hydroxy-2-methylheptan-2-yl)carbamic acid
CID 122585217

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-methylnonan-4-yl)carbamate?
The IUPAC name of tert-butyl N-(4-methylnonan-4-yl)carbamate (CID 130223651) is tert-butyl N-(4-methylnonan-4-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4-methylnonan-4-yl)carbamate?
The canonical SMILES for tert-butyl N-(4-methylnonan-4-yl)carbamate is CCCCCC(C)(CCC)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(4-methylnonan-4-yl)carbamate?
The InChIKey is RVYFNOLYWJYKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-7-9-10-12-15(6,11-8-2)16-13(17)18-14(3,4)5/h7-12H2,1-6H3,(H,16,17).
What are the key properties of tert-butyl N-(4-methylnonan-4-yl)carbamate?
tert-butyl N-(4-methylnonan-4-yl)carbamate has a molecular weight of 257.42 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-methylnonan-4-yl)carbamate is sourced from PubChem (CID 130223651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).