[(E)-2,5,5-trimethylhex-3-en-2-yl] N-aminocarbamate

C10H20N2O2 — CID 142774145

IUPAC[(E)-2,5,5-trimethylhex-3-en-2-yl] N-aminocarbamate
SMILESCC(C)(C)/C=C/C(C)(C)OC(=O)NN
InChIInChI=1S/C10H20N2O2/c1-9(2,3)6-7-10(4,5)14-8(13)12-11/h6-7H,11H2,1-5H3,(H,12,13)/b7-6+
InChIKeyQUTVDGRJDHYYQF-VOTSOKGWSA-N
MW200.28 g/mol
LogP1.97
Rot. Bonds2

About [(E)-2,5,5-trimethylhex-3-en-2-yl] N-aminocarbamate

[(E)-2,5,5-trimethylhex-3-en-2-yl] N-aminocarbamate (PubChem CID 142774145) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is [(E)-2,5,5-trimethylhex-3-en-2-yl] N-aminocarbamate.

Molecular Properties

Compound Name[(E)-2,5,5-trimethylhex-3-en-2-yl] N-aminocarbamate
PubChem CID142774145
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name[(E)-2,5,5-trimethylhex-3-en-2-yl] N-aminocarbamate
SMILESCC(C)(C)/C=C/C(C)(C)OC(=O)NN
InChIInChI=1S/C10H20N2O2/c1-9(2,3)6-7-10(4,5)14-8(13)12-11/h6-7H,11H2,1-5H3,(H,12,13)/b7-6+
InChIKeyQUTVDGRJDHYYQF-VOTSOKGWSA-N
XLogP1.97
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

acetic acid;tert-butyl N-aminocarbamate
CID 174608013
2-methylhexan-2-yl N-aminocarbamate
CID 163750703
tert-butyl N-aminocarbamate;thiophene
CID 174567348
tert-butyl N-aminocarbamoperoxoate
CID 87183092
[(E)-2-methylpent-3-en-2-yl] acetate
CID 177097453
(E)-3,3,6,6-tetramethylhept-4-en-2-one
CID 89008676
(4-bromo-2-methylbut-3-en-2-yl) acetate
CID 173442263
2-(hydrazinecarbonyloxy)ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 135302819
(4,4-dimethylpent-2-enoylamino) hydrogen sulfate
CID 139671838
ethene;bis(2,2,5,5-tetramethylhex-3-ene)
CID 162279391
N-[(E)-3,3-dimethylbut-1-enyl]acetamide
CID 55299513
trans-[(2-methylpropan-2-yl)oxycarbonylamino] (1S,2S)-2-ethenylcyclopropane-1-carboxylate
CID 175137110

Frequently Asked Questions

What is the IUPAC name of [(E)-2,5,5-trimethylhex-3-en-2-yl] N-aminocarbamate?
The IUPAC name of [(E)-2,5,5-trimethylhex-3-en-2-yl] N-aminocarbamate (CID 142774145) is [(E)-2,5,5-trimethylhex-3-en-2-yl] N-aminocarbamate.
What is the SMILES notation for [(E)-2,5,5-trimethylhex-3-en-2-yl] N-aminocarbamate?
The canonical SMILES for [(E)-2,5,5-trimethylhex-3-en-2-yl] N-aminocarbamate is CC(C)(C)/C=C/C(C)(C)OC(=O)NN.
What is the InChIKey of [(E)-2,5,5-trimethylhex-3-en-2-yl] N-aminocarbamate?
The InChIKey is QUTVDGRJDHYYQF-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-9(2,3)6-7-10(4,5)14-8(13)12-11/h6-7H,11H2,1-5H3,(H,12,13)/b7-6+.
What are the key properties of [(E)-2,5,5-trimethylhex-3-en-2-yl] N-aminocarbamate?
[(E)-2,5,5-trimethylhex-3-en-2-yl] N-aminocarbamate has a molecular weight of 200.28 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2,5,5-trimethylhex-3-en-2-yl] N-aminocarbamate is sourced from PubChem (CID 142774145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).