8-methylnonyl N-aminocarbamate

C11H24N2O2 — CID 151869472

IUPAC8-methylnonyl N-aminocarbamate
SMILESCC(C)CCCCCCCOC(=O)NN
InChIInChI=1S/C11H24N2O2/c1-10(2)8-6-4-3-5-7-9-15-11(14)13-12/h10H,3-9,12H2,1-2H3,(H,13,14)
InChIKeySMJOKOWDIPSCEZ-UHFFFAOYSA-N
MW216.32 g/mol
LogP2.58
Rot. Bonds8

About 8-methylnonyl N-aminocarbamate

8-methylnonyl N-aminocarbamate (PubChem CID 151869472) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 8-methylnonyl N-aminocarbamate.

Molecular Properties

Compound Name8-methylnonyl N-aminocarbamate
PubChem CID151869472
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name8-methylnonyl N-aminocarbamate
SMILESCC(C)CCCCCCCOC(=O)NN
InChIInChI=1S/C11H24N2O2/c1-10(2)8-6-4-3-5-7-9-15-11(14)13-12/h10H,3-9,12H2,1-2H3,(H,13,14)
InChIKeySMJOKOWDIPSCEZ-UHFFFAOYSA-N
XLogP2.58
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

15-methylhexadecyl 4-methylpentanoate
CID 175048377
12-methyltridecyl 4-methylpentanoate
CID 175056359
bis(6-methylheptyl) propanedioate
CID 141192474
bis(8-methylnonyl) carbonate
CID 23302119
bis(14-methylpentadecyl) oxalate
CID 88541014
bis(18-methylnonadecyl) dodecanedioate
CID 57370184
bis(15-methylhexadecyl) nonanedioate
CID 121388169
10-methylundecyl 9-methyldecanoate
CID 139914472
14-methylpentadecyl 9-methyldecanoate
CID 139914480
bis(6-methylheptyl) undecanedioate
CID 141305471
bis(13-methyltetradecyl) nonanedioate
CID 121387990
bis(14-methylpentadecyl) nonanedioate
CID 23368809

Frequently Asked Questions

What is the IUPAC name of 8-methylnonyl N-aminocarbamate?
The IUPAC name of 8-methylnonyl N-aminocarbamate (CID 151869472) is 8-methylnonyl N-aminocarbamate.
What is the SMILES notation for 8-methylnonyl N-aminocarbamate?
The canonical SMILES for 8-methylnonyl N-aminocarbamate is CC(C)CCCCCCCOC(=O)NN.
What is the InChIKey of 8-methylnonyl N-aminocarbamate?
The InChIKey is SMJOKOWDIPSCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-10(2)8-6-4-3-5-7-9-15-11(14)13-12/h10H,3-9,12H2,1-2H3,(H,13,14).
What are the key properties of 8-methylnonyl N-aminocarbamate?
8-methylnonyl N-aminocarbamate has a molecular weight of 216.32 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylnonyl N-aminocarbamate is sourced from PubChem (CID 151869472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).