propan-2-yl N-(5-methylheptyl)carbamate

C12H25NO2 — CID 129015381

IUPACpropan-2-yl N-(5-methylheptyl)carbamate
SMILESCCC(C)CCCCNC(=O)OC(C)C
InChIInChI=1S/C12H25NO2/c1-5-11(4)8-6-7-9-13-12(14)15-10(2)3/h10-11H,5-9H2,1-4H3,(H,13,14)
InChIKeyCXDHEQHCFKQTJE-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.34
Rot. Bonds7

About propan-2-yl N-(5-methylheptyl)carbamate

propan-2-yl N-(5-methylheptyl)carbamate (PubChem CID 129015381) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is propan-2-yl N-(5-methylheptyl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(5-methylheptyl)carbamate
PubChem CID129015381
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Namepropan-2-yl N-(5-methylheptyl)carbamate
SMILESCCC(C)CCCCNC(=O)OC(C)C
InChIInChI=1S/C12H25NO2/c1-5-11(4)8-6-7-9-13-12(14)15-10(2)3/h10-11H,5-9H2,1-4H3,(H,13,14)
InChIKeyCXDHEQHCFKQTJE-UHFFFAOYSA-N
XLogP3.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.34
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

methyl N-(4-methylhexyl)carbamate
CID 126664152
6-(propan-2-yloxycarbonylamino)hexan-2-yl N-ethylcarbamate
CID 155481140
3-methyl-N-(5-methylheptyl)pentanamide
CID 177365994
3-hydroxy-2-methyl-N-(5-methylheptyl)propanamide
CID 166773435
propan-2-yl N-(3-ethoxypropyl)carbamate
CID 116653800
2,2,2-trifluoro-N-(5-methylheptyl)acetamide
CID 143979183
propan-2-yl N-[4-[methyl(methylidene)-λ4-sulfanyl]butyl]carbamate
CID 123554481
propan-2-yl N-(3-triethoxysilylpropyl)carbamate
CID 87069299
4-methylhexylurea
CID 59582725
propan-2-yl N-(3-methylsulfonylpropyl)carbamate
CID 116655205
propan-2-yl N-(2-chloroethyl)carbamate
CID 15649892
2-(propan-2-yloxycarbonylamino)butyl N-butylcarbamate
CID 654802

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(5-methylheptyl)carbamate?
The IUPAC name of propan-2-yl N-(5-methylheptyl)carbamate (CID 129015381) is propan-2-yl N-(5-methylheptyl)carbamate.
What is the SMILES notation for propan-2-yl N-(5-methylheptyl)carbamate?
The canonical SMILES for propan-2-yl N-(5-methylheptyl)carbamate is CCC(C)CCCCNC(=O)OC(C)C.
What is the InChIKey of propan-2-yl N-(5-methylheptyl)carbamate?
The InChIKey is CXDHEQHCFKQTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-5-11(4)8-6-7-9-13-12(14)15-10(2)3/h10-11H,5-9H2,1-4H3,(H,13,14).
What are the key properties of propan-2-yl N-(5-methylheptyl)carbamate?
propan-2-yl N-(5-methylheptyl)carbamate has a molecular weight of 215.34 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(5-methylheptyl)carbamate is sourced from PubChem (CID 129015381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).