[(4R)-6-(2-aminophenyl)-6-imino-2,4-dimethylhexan-2-yl] carbamate

C15H23N3O2 — CID 174601590

IUPAC[(4R)-6-(2-aminophenyl)-6-imino-2,4-dimethylhexan-2-yl] carbamate
SMILES[H]/N=C(\C[C@@H](C)CC(C)(C)OC(N)=O)c1ccccc1N
InChIInChI=1S/C15H23N3O2/c1-10(9-15(2,3)20-14(18)19)8-13(17)11-6-4-5-7-12(11)16/h4-7,10,17H,8-9,16H2,1-3H3,(H2,18,19)/b17-13+/t10-/m1/s1
InChIKeyOUSSNRLZXCDEJP-VFDYIDLISA-N
MW277.37 g/mol
LogP2.93
Rot. Bonds6

About [(4R)-6-(2-aminophenyl)-6-imino-2,4-dimethylhexan-2-yl] carbamate

[(4R)-6-(2-aminophenyl)-6-imino-2,4-dimethylhexan-2-yl] carbamate (PubChem CID 174601590) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is [(4R)-6-(2-aminophenyl)-6-imino-2,4-dimethylhexan-2-yl] carbamate.

Molecular Properties

Compound Name[(4R)-6-(2-aminophenyl)-6-imino-2,4-dimethylhexan-2-yl] carbamate
PubChem CID174601590
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name[(4R)-6-(2-aminophenyl)-6-imino-2,4-dimethylhexan-2-yl] carbamate
SMILES[H]/N=C(\C[C@@H](C)CC(C)(C)OC(N)=O)c1ccccc1N
InChIInChI=1S/C15H23N3O2/c1-10(9-15(2,3)20-14(18)19)8-13(17)11-6-4-5-7-12(11)16/h4-7,10,17H,8-9,16H2,1-3H3,(H2,18,19)/b17-13+/t10-/m1/s1
InChIKeyOUSSNRLZXCDEJP-VFDYIDLISA-N
XLogP2.93
TPSA102.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(4R)-6-(2-aminophenyl)-6-imino-2,4-dimethylhexan-2-yl] carbamate?
The IUPAC name of [(4R)-6-(2-aminophenyl)-6-imino-2,4-dimethylhexan-2-yl] carbamate (CID 174601590) is [(4R)-6-(2-aminophenyl)-6-imino-2,4-dimethylhexan-2-yl] carbamate.
What is the SMILES notation for [(4R)-6-(2-aminophenyl)-6-imino-2,4-dimethylhexan-2-yl] carbamate?
The canonical SMILES for [(4R)-6-(2-aminophenyl)-6-imino-2,4-dimethylhexan-2-yl] carbamate is [H]/N=C(\C[C@@H](C)CC(C)(C)OC(N)=O)c1ccccc1N.
What is the InChIKey of [(4R)-6-(2-aminophenyl)-6-imino-2,4-dimethylhexan-2-yl] carbamate?
The InChIKey is OUSSNRLZXCDEJP-VFDYIDLISA-N. The full InChI is InChI=1S/C15H23N3O2/c1-10(9-15(2,3)20-14(18)19)8-13(17)11-6-4-5-7-12(11)16/h4-7,10,17H,8-9,16H2,1-3H3,(H2,18,19)/b17-13+/t10-/m1/s1.
What are the key properties of [(4R)-6-(2-aminophenyl)-6-imino-2,4-dimethylhexan-2-yl] carbamate?
[(4R)-6-(2-aminophenyl)-6-imino-2,4-dimethylhexan-2-yl] carbamate has a molecular weight of 277.37 g/mol, XLogP of 2.93, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-6-(2-aminophenyl)-6-imino-2,4-dimethylhexan-2-yl] carbamate is sourced from PubChem (CID 174601590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).